| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.2 | Very low | 41.1 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 100% | 1.222 | 87% | 0.872 | S | S | * | * | 0 | 107.5 | 0 | -88.2 | -173.3 | 163.1 | 0 | 0 | 108.4 | |||||
| 2 | A | 45.5 | Very low | 40.3 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 89% | 0.893 | 87% | 0.868 | S | S | * | * | trans | 158.9 | 85.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | S | 39.9 | Very low | 40.6 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 86% | 0.863 | S | S | * | * | trans | -97.2 | 130 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | F | 41.9 | Very low | 40.1 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 94% | 0.939 | 85% | 0.849 | S | S | * | * | trans | -157.7 | 89.6 | 151.3 | -85.6 | -71.5 | 0 | 0 | 0 | 106.8 | ||||
| 5 | S | 38.2 | Very low | 40 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | 71.3 | 87.4 | 93.8 | -159.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 6 | S | 39.4 | Very low | 40 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -85.7 | 118 | 163.2 | 64.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 44.8 | Very low | 40 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -107.6 | 105.8 | 160.7 | -95.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | A | 41.9 | Very low | 39.7 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -74 | 135.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 9 | R | 40.5 | Very low | 39.3 | Very low | 252 Ų | 252 | 145.3 Ų | 145.3 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | -170.9 | 84.1 | 152.2 | -102.5 | 159.3 | -172.9 | -134.1 | 0.9 | 108.8 | ||||
| 10 | S | 37.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -97.5 | 110.7 | 160.1 | -165.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 11 | A | 35.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -113.8 | 90.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 12 | S | 31.5 | Very low | 38 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -93.1 | 104.2 | 167 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 13 | S | 44.4 | Very low | 38 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -92.3 | 104.4 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | R15 | S13-R15 PolarHBondContact O-N 3.05Š| ||
| 14 | Y | 33.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 142 Ų | 142 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | trans | -39.6 | 125.5 | 157.8 | -171.9 | -104 | 0 | 0 | 0 | 112.9 | R16 | Y14-R16 HydrophobicContact CD1-CG 4.42Å; Y14-R16 HydrophobicContact CE1-CB 4.06Å; Y14-R16 HydrophobicContact CE1-CG 3.63Å; Y14-R16 HydrophobicContact CE2-CG 4.05Å; Y14-R16 VanDerWaalsContact CZ-CD 3.43Å; Y14-R16 VanDerWaalsContact CZ-CG 3.47Å; Y14-R16 WeakPolarHBondContact OH-CD 3.45Å; Y14-R16 PolarHBondContact OH-NE 3.21Å | ||
| 15 | R | 37.7 | Very low | 37.7 | Very low | 233 Ų | 233 | 137.3 Ų | 137.3 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -131.4 | 100 | 157.2 | -141.5 | -173.8 | -154.8 | -136.5 | 6.9 | 109.9 | S13 | S13-R15 PolarHBondContact O-N 3.05Š| ||
| 16 | R | 39.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 138 Ų | 138 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 134.6 | 159.4 | -83.3 | -172.8 | 168.2 | -179.4 | 2.4 | 109.4 | Y14 | Y14-R16 HydrophobicContact CD1-CG 4.42Å; Y14-R16 HydrophobicContact CE1-CB 4.06Å; Y14-R16 HydrophobicContact CE1-CG 3.63Å; Y14-R16 HydrophobicContact CE2-CG 4.05Å; Y14-R16 VanDerWaalsContact CZ-CD 3.43Å; Y14-R16 VanDerWaalsContact CZ-CG 3.47Å; Y14-R16 WeakPolarHBondContact OH-CD 3.45Å; Y14-R16 PolarHBondContact OH-NE 3.21Å | ||
| 17 | T | 41.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 112.3 | 150.7 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 18 | F | 33.7 | Very low | 37.2 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 145.4 | 160 | -79.8 | -89.3 | 0 | 0 | 0 | 109 | ||||
| 19 | G | 32.9 | Very low | 36.9 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 114.4 | 112.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 20 | H | 31.5 | Very low | 36.6 | Very low | 193 Ų | 193 | 142 Ų | 142 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | 92.8 | 101.8 | 134.2 | -133 | 68.8 | 0 | 0 | 0 | 119.9 | ||||
| 21 | G | 33.1 | Very low | 36.5 | Very low | 50 Ų | 50 | 141.3 Ų | 141.3 | 52% | 0.515 | 79% | 0.789 | S | S | . | * | 58.9 | 100.4 | 116.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 22 | S | 33.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -158.6 | 119.7 | 142.2 | -79 | 0 | 0 | 0 | 0 | 110.2 | A24 | S22-A24 PolarHBondContact O-N 3.33Š| ||
| 23 | Y | 46 | Very low | 36.6 | Very low | 229 Ų | 229 | 147.9 Ų | 147.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -59 | 120.9 | 169.4 | -30.1 | -90.1 | 0 | 0 | 0 | 109 | ||||
| 24 | A | 35.3 | Very low | 36 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -151.6 | 104.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S22 | S22-A24 PolarHBondContact O-N 3.33Š| ||
| 25 | S | 40 | Very low | 36.6 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 147.1 | 169.4 | -47 | 0 | 0 | 0 | 0 | 110.8 | S27 | S25-S27 PolarHBondContact O-N 2.89Š| ||
| 26 | P | 41.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 125.3 | 174 | 29.2 | -30 | 0 | 0 | 0 | 110.5 | L28 | P26-L28 PolarHBondContact O-N 3.06Š| ||
| 27 | S | 34.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 115.7 | 174.9 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | S25 | S25-S27 PolarHBondContact O-N 2.89Š| ||
| 28 | L | 37.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -74.8 | 137.9 | 167 | -76.7 | 161.7 | 0 | 0 | 0 | 110.8 | P26 R30 | P26-L28 PolarHBondContact O-N 3.06Å; L28-R30 PolarHBondContact O-N 3.05Å | ||
| 29 | N | 34.8 | Very low | 35.5 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -53.4 | 126 | 170.5 | -84.8 | -16.3 | 0 | 0 | 0 | 111 | ||||
| 30 | R | 33.3 | Very low | 35.4 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -106 | 97.9 | 175.5 | -163.1 | -178.8 | -144.5 | -128.3 | 5.3 | 109.1 | L28 | L28-R30 PolarHBondContact O-N 3.05Š| ||
| 31 | S | 35.8 | Very low | 35.6 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -84.6 | 126.2 | 161.7 | -47.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | F | 35.2 | Very low | 35.5 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -67.7 | 139.4 | -179 | -81.9 | -100.9 | 0 | 0 | 0 | 112.5 | ||||
| 33 | L | 33.7 | Very low | 35.6 | Very low | 177 Ų | 177 | 132 Ų | 132 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -105.7 | 140.8 | 162.7 | -100.7 | 89.2 | 0 | 0 | 0 | 110.6 | ||||
| 34 | G | 31.5 | Very low | 35 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 138.6 | 154.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 35 | P | 45.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | cis | -131.9 | -177 | -33.7 | 35.7 | -16.8 | 0 | 0 | 0 | 113.1 | ||||
| 36 | A | 33.3 | Very low | 34.7 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -53.5 | 154.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 37 | A | 30.2 | Very low | 34.3 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 179.8 | 126.3 | 124.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 38 | A | 34.9 | Very low | 34.3 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | 26.5 | 141.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 39 | G | 31.4 | Very low | 34.2 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 107.8 | 128.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 40 | G | 31.6 | Very low | 34 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | 160.3 | 151.8 | 16.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 41 | A | 34.6 | Very low | 34 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | trans | -35.3 | 149.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 42 | H | 33 | Very low | 33.8 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | 178.2 | 108.5 | 112.2 | -77.5 | -50.8 | 0 | 0 | 0 | 110 | |||||
| 43 | V | 34.2 | Very low | 33.8 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -113.2 | 118 | 166.6 | 173.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 44 | T | 33.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -112 | 102.4 | 168.6 | 52 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | S | 32.3 | Very low | 33.8 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -94.9 | 125 | 167.4 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 46 | R | 36.4 | Very low | 33.4 | Very low | 239 Ų | 239 | 131.2 Ų | 131.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -114.6 | 118.2 | 162.7 | -88.6 | -175.1 | 174.8 | 160.2 | -0.9 | 107.9 | ||||
| 47 | V | 33.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | trans | -82.2 | 136.4 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 109.1 | E49 | V47-E49 HydrophobicContact CG1-CG 4.17Š| ||
| 48 | Y | 34.1 | Very low | 34.2 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | -133.8 | 115.7 | 145.9 | -79.1 | -78.6 | 0 | 0 | 0 | 107.9 | ||||
| 49 | E | 35 | Very low | 34 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -71.9 | 141.6 | 168.3 | -71.7 | -177 | 146.6 | 0 | 0 | 110.1 | V47 | V47-E49 HydrophobicContact CG1-CG 4.17Š| ||
| 50 | V | 31.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -109.5 | 126.3 | 167.6 | 169 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 51 | T | 33.4 | Very low | 33.9 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -118.3 | 117.4 | 162.6 | -36.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 52 | R | 32.1 | Very low | 33.8 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -90 | 149.6 | 165 | -109.3 | -178.5 | -179.1 | -154 | 1 | 105.6 | ||||
| 53 | S | 34.8 | Very low | 33.7 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | cis | -170.1 | 171.4 | 16.1 | -38 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | T | 34.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 70.2 | 117.1 | 139.3 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 55 | A | 31.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | -159.7 | 134.4 | 117.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 56 | A | 36.7 | Very low | 33.4 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 178.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 57 | P | 51.2 | Low | 33.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -131 | -162.2 | -25.7 | 31.4 | -9.5 | 0 | 0 | 0 | 111.5 | ||||
| 58 | T | 29.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 120 | 122.3 | 161.7 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 59 | Y | 30.5 | Very low | 33.2 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | -147 | 158.1 | 72.9 | 47.7 | -92.6 | 0 | 0 | 0 | 115.3 | |||||
| 60 | R | 28.3 | Very low | 33 | Very low | 226 Ų | 226 | 129.2 Ų | 129.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -86.6 | 159.8 | 170 | -79.5 | -177.4 | 177.5 | -173.3 | -0.1 | 111.9 | ||||
| 61 | L | 31.8 | Very low | 34 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 18.3 | 141.2 | 142.8 | -76.9 | 79.7 | 0 | 0 | 0 | 118 | ||||
| 62 | S | 32.8 | Very low | 33.9 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | cis | 170.4 | 159.9 | 38.3 | 37.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 63 | T | 30.6 | Very low | 33.8 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | 162.2 | 160.9 | 76 | 31.7 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 64 | G | 29.9 | Very low | 33.8 | Very low | 70 Ų | 70 | 123.3 Ų | 123.3 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 113.8 | 82.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 65 | S | 33.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | 55.2 | 113.1 | 81.1 | -167.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 66 | L | 31.2 | Very low | 34 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | 175.2 | 136.4 | 104.7 | -169.8 | 67.4 | 0 | 0 | 0 | 111.9 | |||||
| 67 | G | 29.3 | Very low | 33.7 | Very low | 59 Ų | 59 | 131 Ų | 131 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | 81 | 137.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 68 | T | 35.7 | Very low | 32.8 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | cis | -168.6 | 138.1 | 14.5 | -11.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 69 | A | 34.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 38 | 122.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 70 | G | 30.7 | Very low | 33.2 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -76.3 | -146.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 71 | P | 52.7 | Low | 33.6 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -138.8 | -164.1 | -20.7 | 29.9 | -5.3 | 0 | 0 | 0 | 112 | ||||
| 72 | L | 30.7 | Very low | 33.6 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 75.6 | 145.7 | 159.5 | -50.4 | 162.3 | 0 | 0 | 0 | 115.6 | ||||
| 73 | G | 28.9 | Very low | 33.7 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | 153.2 | 139.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 74 | A | 35.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 55.3 | 146.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 75 | T | 30.9 | Very low | 33.9 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | -175.9 | 143.1 | 77.9 | -57.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 76 | R | 38.5 | Very low | 34 | Very low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -85.1 | -173.6 | 168.7 | -65.3 | 179.9 | 168.6 | -177 | -3.4 | 110.2 | ||||
| 77 | V | 30.3 | Very low | 34.2 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 92.6 | 149.3 | 166.3 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 78 | S | 32.8 | Very low | 34.9 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | cis | 173 | 149.5 | -33.4 | -175.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 79 | A | 35.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 60.7 | 135.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 80 | G | 31.6 | Very low | 36.4 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 164.1 | 94.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 81 | R | 37.5 | Very low | 37.4 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -80 | 179.1 | 162 | -106.9 | -173.9 | -174.7 | -162.5 | 2.3 | 110.3 | ||||
| 82 | Y | 31.7 | Very low | 37.7 | Very low | 235 Ų | 235 | 134.5 Ų | 134.5 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 132.5 | 175.3 | -56.1 | -83 | 0 | 0 | 0 | 113.4 | ||||
| 83 | G | 35.2 | Very low | 39 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | 137.7 | 121.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 84 | G | 32 | Very low | 40.4 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 81.1 | 152.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 85 | L | 32.9 | Very low | 41.6 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | cis | -175.9 | 149.5 | 4.6 | -179.7 | 74.8 | 0 | 0 | 0 | 105 | ||||
| 86 | G | 35.7 | Very low | 43.1 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | 100.1 | 92.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 87 | E | 34.7 | Very low | 44.2 | Very low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | 75 | 77.7 | 88.8 | -159 | 166.9 | -154.6 | 0 | 0 | 110.1 | |||||
| 88 | T | 44.6 | Very low | 46 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | 58.8 | 115.9 | 110.6 | 60 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 89 | L | 49.4 | Very low | 47.7 | Very low | 166 Ų | 166 | 120.2 Ų | 120.2 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | -173.9 | 124.6 | 122.5 | -90.3 | 156.3 | 0 | 0 | 0 | 111.1 | |||||
| 90 | D | 52.9 | Low | 49.3 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | 65.3 | 79 | 159.9 | -144.1 | 4.2 | 0 | 0 | 0 | 121.1 | ||||
| 91 | F | 50 | Low | 51.3 | Low | 146 Ų | 146 | 123.3 Ų | 123.3 | 64% | 0.64 | 68% | 0.675 | S | S | * | * | trans | -93 | -0.8 | 177.2 | -75.7 | -85.9 | 0 | 0 | 0 | 114.8 | L93 D95 | F91-L93 PolarHBondContact O-N 3.32Å; F91-D95 VanDerWaalsContact O-CB 3.28Å; F91-D95 WeakPolarHBondContact O-CB 3.31Å; F91-D95 PolarHBondContact O-N 2.91Å | ||
| 92 | S | 59.8 | Low | 53 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.9 | -28.2 | -167.7 | -166.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 93 | L | 57 | Low | 55 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -89.7 | -32.3 | 176.2 | -173.1 | 63 | 0 | 0 | 0 | 111.8 | F91 L97 | F91-L93 PolarHBondContact O-N 3.32Å; L93-L97 PolarHBondContact O-N 3.29Å |
| 94 | A | 58.6 | Low | 57.1 | Low | 59 Ų | 59 | 107.6 Ų | 107.6 | 49% | 0.488 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.7 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N98 | A94-N98 WeakPolarHBondContact O-CB 3.34Å; A94-N98 PolarHBondContact O-N 3.45Å |
| 95 | D | 61.3 | Low | 59.4 | Low | 80 Ų | 80 | 111.1 Ų | 111.1 | 43% | 0.428 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.8 | -35.7 | 174.8 | -99.2 | -11.1 | 0 | 0 | 0 | 112.7 | F91 N98 Q99 | F91-D95 VanDerWaalsContact O-CB 3.28Å; F91-D95 WeakPolarHBondContact O-CB 3.31Å; F91-D95 PolarHBondContact O-N 2.91Å; D95-N98 PolarHBondContact O-N 2.87Å; D95-Q99 VanDerWaalsContact O-CB 3.26Å; D95-Q99 WeakPolarHBondContact O-CB 3.37Å; D95-Q99 WeakPolarHBondContact O-CG 3.33Å; D95-Q99 PolarHBondContact O-N 3.25Å |
| 96 | A | 62.2 | Low | 61.7 | Low | 53 Ų | 53 | 106.7 Ų | 106.7 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.1 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q99 E100 | A96-Q99 PolarHBondContact O-N 2.73Å; A96-E100 PolarHBondContact O-N 2.84Å |
| 97 | L | 62.8 | Low | 63.9 | Low | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.2 | -34.7 | 175.1 | -70.5 | 172.4 | 0 | 0 | 0 | 112.4 | L93 F101 | L93-L97 PolarHBondContact O-N 3.29Å; L97-F101 VanDerWaalsContact O-CB 3.27Å; L97-F101 WeakPolarHBondContact O-CB 3.37Å; L97-F101 PolarHBondContact O-N 3.44Å |
| 98 | N | 67.7 | Low | 66.2 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.1 | -34.8 | 175.7 | -169.3 | 44.7 | 0 | 0 | 0 | 111.8 | A94 D95 L102 | A94-N98 WeakPolarHBondContact O-CB 3.34Å; A94-N98 PolarHBondContact O-N 3.45Å; D95-N98 PolarHBondContact O-N 2.87Å; N98-L102 VanDerWaalsContact O-CB 3.23Å; N98-L102 WeakPolarHBondContact O-CB 3.14Å; N98-L102 WeakPolarHBondContact O-CD1 3.13Å; N98-L102 WeakPolarHBondContact O-CG 3.41Å; N98-L102 PolarHBondContact O-N 3.44Å |
| 99 | Q | 67.6 | Low | 68.2 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.4 | -39.8 | 171.9 | -79.1 | -178.4 | 19.6 | 0 | 0 | 111.9 | D95 A96 L102 A103 | D95-Q99 VanDerWaalsContact O-CB 3.26Å; D95-Q99 WeakPolarHBondContact O-CB 3.37Å; D95-Q99 WeakPolarHBondContact O-CG 3.33Å; D95-Q99 PolarHBondContact O-N 3.25Å; A96-Q99 PolarHBondContact O-N 2.73Å; Q99-L102 PolarHBondContact O-N 2.99Å; Q99-A103 VanDerWaalsContact O-CB 3.27Å; Q99-A103 WeakPolarHBondContact O-CB 3.43Å; Q99-A103 PolarHBondContact O-N 3.25Å |
| 100 | E | 69.3 | Low | 69.8 | Low | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 174.8 | -165.3 | 172.6 | -170.1 | 0 | 0 | 111.9 | A96 A103 T104 | A96-E100 PolarHBondContact O-N 2.84Å; E100-A103 PolarHBondContact O-N 2.88Å; E100-T104 WeakPolarHBondContact O-CG2 3.03Å; E100-T104 PolarHBondContact O-N 3.22Å; E100-T104 PolarHBondContact O-OG1 3.1Å |
| 101 | F | 73.6 | Confident | 71.3 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 172.4 | -175.8 | -102 | 0 | 0 | 0 | 112.9 | L97 A103 T104 R105 | L97-F101 VanDerWaalsContact O-CB 3.27Å; L97-F101 WeakPolarHBondContact O-CB 3.37Å; L97-F101 PolarHBondContact O-N 3.44Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-T104 WeakPolarHBondContact CA-OG1 3.46Å; F101-T104 PolarHBondContact O-OG1 3.25Å; F101-R105 WeakPolarHBondContact O-CB 3.3Å; F101-R105 PolarHBondContact O-N 3.01Å |
| 102 | L | 74.3 | Confident | 73 | Confident | 86 Ų | 86 | 98 Ų | 98 | 45% | 0.45 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 172.5 | -75.7 | 164.8 | 0 | 0 | 0 | 111.2 | N98 Q99 T106 | N98-L102 VanDerWaalsContact O-CB 3.23Å; N98-L102 WeakPolarHBondContact O-CB 3.14Å; N98-L102 WeakPolarHBondContact O-CD1 3.13Å; N98-L102 WeakPolarHBondContact O-CG 3.41Å; N98-L102 PolarHBondContact O-N 3.44Å; Q99-L102 PolarHBondContact O-N 2.99Å; L102-T106 VanDerWaalsContact O-CB 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.18Å; L102-T106 WeakPolarHBondContact O-CG2 3.35Å; L102-T106 PolarHBondContact O-N 3.48Å; L102-T106 PolarHBondContact O-OG1 2.87Å |
| 103 | A | 73.8 | Confident | 74.3 | Confident | 53 Ų | 53 | 98.9 Ų | 98.9 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q99 E100 F101 T106 N107 | Q99-A103 VanDerWaalsContact O-CB 3.27Å; Q99-A103 WeakPolarHBondContact O-CB 3.43Å; Q99-A103 PolarHBondContact O-N 3.25Å; E100-A103 PolarHBondContact O-N 2.88Å; F101-A103 VanDerWaalsContact C-N 3.34Å; A103-T106 WeakPolarHBondContact CA-OG1 3.24Å; A103-T106 PolarHBondContact O-N 2.9Å; A103-T106 PolarHBondContact O-OG1 3.49Å; A103-N107 VanDerWaalsContact O-CB 3.31Å; A103-N107 WeakPolarHBondContact O-CB 3.23Å; A103-N107 PolarHBondContact O-N 3Å |
| 104 | T | 77.9 | Confident | 75.9 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.5 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | E100 F101 N107 E108 | E100-T104 WeakPolarHBondContact O-CG2 3.03Å; E100-T104 PolarHBondContact O-N 3.22Å; E100-T104 PolarHBondContact O-OG1 3.1Å; F101-T104 WeakPolarHBondContact CA-OG1 3.46Å; F101-T104 PolarHBondContact O-OG1 3.25Å; T104-N107 PolarHBondContact O-N 2.84Å; T104-E108 WeakPolarHBondContact O-CB 3.46Å; T104-E108 PolarHBondContact O-N 3.49Å |
| 105 | R | 81.3 | Confident | 77.3 | Confident | 157 Ų | 157 | 100.1 Ų | 100.1 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.2 | -34.8 | 175.1 | -172.8 | 177.7 | 179.2 | 146.5 | 2 | 113.4 | F101 K109 | F101-R105 WeakPolarHBondContact O-CB 3.3Å; F101-R105 PolarHBondContact O-N 3.01Å; R105-K109 WeakPolarHBondContact O-CB 3.39Å; R105-K109 PolarHBondContact O-N 2.89Å |
| 106 | T | 80.9 | Confident | 78.6 | Confident | 86 Ų | 86 | 101.3 Ų | 101.3 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 174.2 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | L102 A103 K109 A110 | L102-T106 VanDerWaalsContact O-CB 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.18Å; L102-T106 WeakPolarHBondContact O-CG2 3.35Å; L102-T106 PolarHBondContact O-N 3.48Å; L102-T106 PolarHBondContact O-OG1 2.87Å; A103-T106 WeakPolarHBondContact CA-OG1 3.24Å; A103-T106 PolarHBondContact O-N 2.9Å; A103-T106 PolarHBondContact O-OG1 3.49Å; T106-K109 PolarHBondContact O-N 3.36Å; T106-A110 WeakPolarHBondContact O-CB 3.49Å; T106-A110 PolarHBondContact O-N 2.85Å |
| 107 | N | 82.3 | Confident | 80 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -47.6 | 171.5 | -169.4 | 58.6 | 0 | 0 | 0 | 111.9 | A103 T104 K109 A110 E111 | A103-N107 VanDerWaalsContact O-CB 3.31Å; A103-N107 WeakPolarHBondContact O-CB 3.23Å; A103-N107 PolarHBondContact O-N 3Å; T104-N107 PolarHBondContact O-N 2.84Å; N107-K109 VanDerWaalsContact C-N 3.31Å; N107-K109 PolarHBondContact O-N 2.93Å; N107-A110 CarbonylContact O-C 3.55Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.39Å; N107-E111 PolarHBondContact ND2-OE1 3.49Å; N107-E111 WeakPolarHBondContact O-CG 3.43Å; N107-E111 PolarHBondContact O-N 2.79Å |
| 108 | E | 83.8 | Confident | 81.3 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 174.6 | -172.5 | -177.1 | -173.2 | 0 | 0 | 111.3 | T104 A110 E111 L112 | T104-E108 WeakPolarHBondContact O-CB 3.46Å; T104-E108 PolarHBondContact O-N 3.49Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-A110 PolarHBondContact O-N 3.26Å; E108-E111 PolarHBondContact O-N 2.87Å; E108-L112 HydrophobicContact CG-CD1 4.3Å; E108-L112 VanDerWaalsContact O-CB 3.32Å; E108-L112 WeakPolarHBondContact O-CB 3.24Å; E108-L112 VanDerWaalsContact O-CG 3.25Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 2.87Å |
| 109 | K | 84.8 | Confident | 82.4 | Confident | 141 Ų | 141 | 106.5 Ų | 106.5 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -38.7 | 173 | -176.2 | -178.8 | 176.5 | -173.8 | 0 | 111.9 | R105 T106 N107 Q113 | R105-K109 WeakPolarHBondContact O-CB 3.39Å; R105-K109 PolarHBondContact O-N 2.89Å; T106-K109 PolarHBondContact O-N 3.36Å; N107-K109 VanDerWaalsContact C-N 3.31Å; N107-K109 PolarHBondContact O-N 2.93Å; K109-Q113 VanDerWaalsContact O-CB 3.22Å; K109-Q113 WeakPolarHBondContact O-CB 3.26Å; K109-Q113 PolarHBondContact O-N 3.3Å |
| 110 | A | 84.3 | Confident | 83.5 | Confident | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T106 N107 E108 Q113 H114 | T106-A110 WeakPolarHBondContact O-CB 3.49Å; T106-A110 PolarHBondContact O-N 2.85Å; N107-A110 CarbonylContact O-C 3.55Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.39Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-A110 PolarHBondContact O-N 3.26Å; A110-Q113 PolarHBondContact O-N 2.86Å; A110-H114 WeakPolarHBondContact O-CB 3.01Å; A110-H114 PolarHBondContact O-N 2.88Å |
| 111 | E | 83.9 | Confident | 84.6 | Confident | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 173.5 | -72.9 | 175.7 | -166.4 | 0 | 0 | 111.6 | N107 E108 Q113 H114 L115 | N107-E111 PolarHBondContact ND2-OE1 3.49Å; N107-E111 WeakPolarHBondContact O-CG 3.43Å; N107-E111 PolarHBondContact O-N 2.79Å; E108-E111 PolarHBondContact O-N 2.87Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.36Å; E111-H114 PolarHBondContact O-N 2.9Å; E111-L115 WeakPolarHBondContact O-CB 3.2Å; E111-L115 PolarHBondContact O-N 2.88Å |
| 112 | L | 86.1 | Confident | 85.6 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 173.5 | -74.1 | 174.1 | 0 | 0 | 0 | 111.9 | E108 N116 | E108-L112 HydrophobicContact CG-CD1 4.3Å; E108-L112 VanDerWaalsContact O-CB 3.32Å; E108-L112 WeakPolarHBondContact O-CB 3.24Å; E108-L112 VanDerWaalsContact O-CG 3.25Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 2.87Å; L112-N116 VanDerWaalsContact O-CB 3.23Å; L112-N116 WeakPolarHBondContact O-CB 3.37Å; L112-N116 PolarHBondContact O-N 2.83Å |
| 113 | Q | 86.6 | Confident | 86.5 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 174.9 | -175.8 | 167.4 | -3.8 | 0 | 0 | 111.1 | K109 A110 E111 L115 N116 D117 | K109-Q113 VanDerWaalsContact O-CB 3.22Å; K109-Q113 WeakPolarHBondContact O-CB 3.26Å; K109-Q113 PolarHBondContact O-N 3.3Å; A110-Q113 PolarHBondContact O-N 2.86Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.36Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 2.8Å; Q113-N116 WeakPolarHBondContact O-CB 3.38Å; Q113-N116 PolarHBondContact O-N 3.34Å; Q113-N116 VanDerWaalsContact O-N 3.14Å; Q113-D117 PolarHBondContact O-N 3.34Å |
| 114 | H | 89.8 | Confident | 87.4 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 61% | 0.611 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -40 | 175.5 | -173.2 | 63.9 | 0 | 0 | 0 | 112.2 | A110 E111 D117 R118 | A110-H114 WeakPolarHBondContact O-CB 3.01Å; A110-H114 PolarHBondContact O-N 2.88Å; E111-H114 PolarHBondContact O-N 2.9Å; H114-D117 PolarHBondContact O-N 3.29Å; H114-R118 WeakPolarHBondContact O-CB 3.36Å; H114-R118 PolarHBondContact O-N 3.49Å |
| 115 | L | 88.8 | Confident | 88.2 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 175.1 | -167.3 | 69.6 | 0 | 0 | 0 | 111.5 | E111 Q113 R118 F119 | E111-L115 WeakPolarHBondContact O-CB 3.2Å; E111-L115 PolarHBondContact O-N 2.88Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 2.8Å; L115-R118 PolarHBondContact O-N 3.22Å; L115-F119 HydrophobicContact CD1-CE2 4.26Å; L115-F119 HydrophobicContact CD2-CE2 3.81Å; L115-F119 HydrophobicContact CD2-CZ 4.49Å; L115-F119 HydrophobicContact CG-CD2 4.03Å; L115-F119 HydrophobicContact CG-CE2 3.6Å; L115-F119 HydrophobicContact CG-CZ 4.31Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å; L115-F119 WeakPolarHBondContact O-CG 3.26Å; L115-F119 PolarHBondContact O-N 3.4Å |
| 116 | N | 89.4 | Confident | 88.8 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 175.4 | -159.4 | -56.3 | 0 | 0 | 0 | 111.7 | L112 Q113 R118 F119 A120 | L112-N116 VanDerWaalsContact O-CB 3.23Å; L112-N116 WeakPolarHBondContact O-CB 3.37Å; L112-N116 PolarHBondContact O-N 2.83Å; Q113-N116 WeakPolarHBondContact O-CB 3.38Å; Q113-N116 PolarHBondContact O-N 3.34Å; Q113-N116 VanDerWaalsContact O-N 3.14Å; N116-R118 VanDerWaalsContact C-N 3.26Å; N116-R118 PolarHBondContact O-N 3.48Å; N116-F119 CarbonylContact O-C 3.59Å; N116-F119 WeakPolarHBondContact O-CA 3.27Å; N116-F119 PolarHBondContact O-N 3.4Å; N116-F119 VanDerWaalsContact O-N 3.08Å; N116-A120 WeakPolarHBondContact O-CB 3.26Å; N116-A120 PolarHBondContact O-N 2.72Å |
| 117 | D | 90 | Very high | 89.4 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -39 | 174.5 | -66.5 | -24.2 | 0 | 0 | 0 | 110.8 | Q113 H114 A120 S121 | Q113-D117 PolarHBondContact O-N 3.34Å; H114-D117 PolarHBondContact O-N 3.29Å; D117-A120 PolarHBondContact O-N 2.87Å; D117-S121 PolarHBondContact O-N 3.38Å; D117-S121 PolarHBondContact O-OG 3.48Å |
| 118 | R | 91 | Very high | 90.1 | Very high | 137 Ų | 137 | 105.9 Ų | 105.9 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 172.8 | -169.1 | 171.5 | 179.1 | 169 | -4.2 | 111.8 | H114 L115 N116 S121 Y122 | H114-R118 WeakPolarHBondContact O-CB 3.36Å; H114-R118 PolarHBondContact O-N 3.49Å; L115-R118 PolarHBondContact O-N 3.22Å; N116-R118 VanDerWaalsContact C-N 3.26Å; N116-R118 PolarHBondContact O-N 3.48Å; R118-S121 PolarHBondContact O-N 2.82Å; R118-S121 PolarHBondContact O-OG 3.45Å; R118-Y122 HydrophobicContact CG-CD2 4.01Å; R118-Y122 HydrophobicContact CG-CE2 3.93Å; R118-Y122 VanDerWaalsContact O-CD2 3.31Å; R118-Y122 WeakPolarHBondContact O-CD2 3.45Å; R118-Y122 PolarHBondContact O-N 2.79Å |
| 119 | F | 91 | Very high | 90.6 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 173.7 | -76.8 | -51 | 0 | 0 | 0 | 112.5 | L115 N116 S121 Y122 I123 | L115-F119 HydrophobicContact CD1-CE2 4.26Å; L115-F119 HydrophobicContact CD2-CE2 3.81Å; L115-F119 HydrophobicContact CD2-CZ 4.49Å; L115-F119 HydrophobicContact CG-CD2 4.03Å; L115-F119 HydrophobicContact CG-CE2 3.6Å; L115-F119 HydrophobicContact CG-CZ 4.31Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å; L115-F119 WeakPolarHBondContact O-CG 3.26Å; L115-F119 PolarHBondContact O-N 3.4Å; N116-F119 CarbonylContact O-C 3.59Å; N116-F119 WeakPolarHBondContact O-CA 3.27Å; N116-F119 PolarHBondContact O-N 3.4Å; N116-F119 VanDerWaalsContact O-N 3.08Å; F119-S121 PolarHBondContact O-N 2.88Å; F119-Y122 PolarHBondContact O-N 3.3Å; F119-I123 WeakPolarHBondContact O-CB 3.09Å; F119-I123 VanDerWaalsContact O-CG1 3.25Å; F119-I123 WeakPolarHBondContact O-CG1 3.11Å; F119-I123 PolarHBondContact O-N 3.12Å |
| 120 | A | 90.7 | Very high | 91 | Very high | 38 Ų | 38 | 102.1 Ų | 102.1 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N116 D117 Y122 I123 E124 | N116-A120 WeakPolarHBondContact O-CB 3.26Å; N116-A120 PolarHBondContact O-N 2.72Å; D117-A120 PolarHBondContact O-N 2.87Å; A120-Y122 PolarHBondContact O-N 3.37Å; A120-I123 PolarHBondContact O-N 2.91Å; A120-E124 WeakPolarHBondContact O-CG 3.33Å; A120-E124 PolarHBondContact O-N 2.9Å |
| 121 | S | 92.4 | Very high | 91.5 | Very high | 62 Ų | 62 | 103.6 Ų | 103.6 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 175.4 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | D117 R118 F119 K125 | D117-S121 PolarHBondContact O-N 3.38Å; D117-S121 PolarHBondContact O-OG 3.48Å; R118-S121 PolarHBondContact O-N 2.82Å; R118-S121 PolarHBondContact O-OG 3.45Å; F119-S121 PolarHBondContact O-N 2.88Å; S121-K125 WeakPolarHBondContact O-CB 3.49Å; S121-K125 PolarHBondContact O-N 3.4Å |
| 122 | Y | 94.5 | Very high | 92.1 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 172.1 | -90.2 | -65.6 | 0 | 0 | 0 | 112.2 | R118 F119 A120 K125 V126 | R118-Y122 HydrophobicContact CG-CD2 4.01Å; R118-Y122 HydrophobicContact CG-CE2 3.93Å; R118-Y122 VanDerWaalsContact O-CD2 3.31Å; R118-Y122 WeakPolarHBondContact O-CD2 3.45Å; R118-Y122 PolarHBondContact O-N 2.79Å; F119-Y122 PolarHBondContact O-N 3.3Å; A120-Y122 PolarHBondContact O-N 3.37Å; Y122-K125 PolarHBondContact O-N 2.84Å; Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.38Å; Y122-V126 PolarHBondContact O-N 3.37Å |
| 123 | I | 92.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 102.4 Ų | 102.4 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.2 | -69.8 | 164.6 | 0 | 0 | 0 | 110.3 | F119 A120 K125 V126 R127 | F119-I123 WeakPolarHBondContact O-CB 3.09Å; F119-I123 VanDerWaalsContact O-CG1 3.25Å; F119-I123 WeakPolarHBondContact O-CG1 3.11Å; F119-I123 PolarHBondContact O-N 3.12Å; A120-I123 PolarHBondContact O-N 2.91Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.49Å; I123-V126 PolarHBondContact O-N 2.86Å; I123-R127 WeakPolarHBondContact O-CG 3.32Å; I123-R127 PolarHBondContact O-N 2.76Å |
| 124 | E | 93.6 | Very high | 92.8 | Very high | 136 Ų | 136 | 103.1 Ų | 103.1 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 173.3 | -75.2 | 179.8 | 179.8 | 0 | 0 | 111.6 | A120 R127 F128 | A120-E124 WeakPolarHBondContact O-CG 3.33Å; A120-E124 PolarHBondContact O-N 2.9Å; E124-R127 PolarHBondContact O-N 3.35Å; E124-F128 WeakPolarHBondContact O-CB 3.19Å; E124-F128 PolarHBondContact O-N 2.7Å |
| 125 | K | 94.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176.2 | -173.4 | 60.9 | 175.2 | -176.5 | 0 | 112.2 | S121 Y122 I123 F128 L129 | S121-K125 WeakPolarHBondContact O-CB 3.49Å; S121-K125 PolarHBondContact O-N 3.4Å; Y122-K125 PolarHBondContact O-N 2.84Å; I123-K125 VanDerWaalsContact C-N 3.32Å; I123-K125 PolarHBondContact O-N 3.49Å; K125-F128 PolarHBondContact O-N 3.23Å; K125-L129 HydrophobicContact CG-CD1 4.19Å; K125-L129 WeakPolarHBondContact O-CB 3.3Å; K125-L129 VanDerWaalsContact O-CG 3.28Å; K125-L129 WeakPolarHBondContact O-CG 3.43Å; K125-L129 PolarHBondContact O-N 3.39Å |
| 126 | V | 94.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 100 Ų | 100 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | Y122 I123 F128 L129 E130 | Y122-V126 VanDerWaalsContact O-CG2 3.31Å; Y122-V126 WeakPolarHBondContact O-CG2 3.38Å; Y122-V126 PolarHBondContact O-N 3.37Å; I123-V126 PolarHBondContact O-N 2.86Å; V126-F128 VanDerWaalsContact C-N 3.32Å; V126-F128 PolarHBondContact O-N 2.88Å; V126-L129 CarbonylContact O-C 3.59Å; V126-L129 PolarHBondContact O-N 3.08Å; V126-L129 VanDerWaalsContact O-N 3.12Å; V126-E130 HydrophobicContact CG1-CG 4.2Å; V126-E130 WeakPolarHBondContact O-CB 3.27Å; V126-E130 VanDerWaalsContact O-CG 3.31Å; V126-E130 WeakPolarHBondContact O-CG 3.43Å; V126-E130 PolarHBondContact O-N 2.65Å |
| 127 | R | 93.1 | Very high | 93.4 | Very high | 162 Ų | 162 | 98.7 Ų | 98.7 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60 | -41.3 | 175.5 | -73.7 | 177.7 | 177.6 | 177.9 | 0.8 | 112.4 | I123 E124 E130 T131 | I123-R127 WeakPolarHBondContact O-CG 3.32Å; I123-R127 PolarHBondContact O-N 2.76Å; E124-R127 PolarHBondContact O-N 3.35Å; R127-E130 PolarHBondContact O-N 2.8Å; R127-T131 WeakPolarHBondContact O-CB 3.28Å; R127-T131 WeakPolarHBondContact O-CG2 3.15Å; R127-T131 PolarHBondContact O-N 2.8Å; R127-T131 PolarHBondContact O-OG1 2.86Å |
| 128 | F | 95.9 | Very high | 93.5 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.4 | 179.5 | -92.8 | 0 | 0 | 0 | 111.8 | E124 K125 V126 T131 Q132 | E124-F128 WeakPolarHBondContact O-CB 3.19Å; E124-F128 PolarHBondContact O-N 2.7Å; K125-F128 PolarHBondContact O-N 3.23Å; V126-F128 VanDerWaalsContact C-N 3.32Å; V126-F128 PolarHBondContact O-N 2.88Å; F128-T131 WeakPolarHBondContact CA-OG1 3.4Å; F128-T131 PolarHBondContact O-OG1 3.36Å; F128-Q132 VanDerWaalsContact O-CB 3.29Å; F128-Q132 WeakPolarHBondContact O-CB 3.13Å; F128-Q132 PolarHBondContact O-N 2.81Å |
| 129 | L | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 176.4 | -71.7 | 171.2 | 0 | 0 | 0 | 112.6 | K125 V126 Q132 N133 | K125-L129 HydrophobicContact CG-CD1 4.19Å; K125-L129 WeakPolarHBondContact O-CB 3.3Å; K125-L129 VanDerWaalsContact O-CG 3.28Å; K125-L129 WeakPolarHBondContact O-CG 3.43Å; K125-L129 PolarHBondContact O-N 3.39Å; V126-L129 CarbonylContact O-C 3.59Å; V126-L129 PolarHBondContact O-N 3.08Å; V126-L129 VanDerWaalsContact O-N 3.12Å; L129-Q132 PolarHBondContact O-N 3.28Å; L129-N133 VanDerWaalsContact O-CB 3.27Å; L129-N133 WeakPolarHBondContact O-CB 3.16Å; L129-N133 PolarHBondContact O-N 3.1Å |
| 130 | E | 93.9 | Very high | 93.2 | Very high | 106 Ų | 106 | 94.7 Ų | 94.7 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 175.3 | -77.5 | 173.8 | 166 | 0 | 0 | 111.2 | V126 R127 Q132 N133 Q134 | V126-E130 HydrophobicContact CG1-CG 4.2Å; V126-E130 WeakPolarHBondContact O-CB 3.27Å; V126-E130 VanDerWaalsContact O-CG 3.31Å; V126-E130 WeakPolarHBondContact O-CG 3.43Å; V126-E130 PolarHBondContact O-N 2.65Å; R127-E130 PolarHBondContact O-N 2.8Å; E130-Q132 VanDerWaalsContact C-N 3.35Å; E130-N133 PolarHBondContact O-N 2.89Å; E130-Q134 WeakPolarHBondContact O-CB 3.27Å; E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.14Å |
| 131 | T | 95.1 | Very high | 93 | Very high | 82 Ų | 82 | 97.8 Ų | 97.8 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | R127 F128 Q134 A135 | R127-T131 WeakPolarHBondContact O-CB 3.28Å; R127-T131 WeakPolarHBondContact O-CG2 3.15Å; R127-T131 PolarHBondContact O-N 2.8Å; R127-T131 PolarHBondContact O-OG1 2.86Å; F128-T131 WeakPolarHBondContact CA-OG1 3.4Å; F128-T131 PolarHBondContact O-OG1 3.36Å; T131-Q134 PolarHBondContact O-N 3.32Å; T131-A135 WeakPolarHBondContact O-CB 3.47Å; T131-A135 PolarHBondContact O-N 3.01Å |
| 132 | Q | 95.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 100.4 Ų | 100.4 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 173.9 | -169.7 | 175 | 26.1 | 0 | 0 | 112.1 | F128 L129 E130 A135 L136 | F128-Q132 VanDerWaalsContact O-CB 3.29Å; F128-Q132 WeakPolarHBondContact O-CB 3.13Å; F128-Q132 PolarHBondContact O-N 2.81Å; L129-Q132 PolarHBondContact O-N 3.28Å; E130-Q132 VanDerWaalsContact C-N 3.35Å; Q132-A135 PolarHBondContact O-N 3.48Å; Q132-L136 HydrophobicContact CG-CD1 4.35Å; Q132-L136 WeakPolarHBondContact O-CG 3.28Å; Q132-L136 PolarHBondContact O-N 2.88Å |
| 133 | N | 93.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.6 | -90.8 | -24.7 | 0 | 0 | 0 | 111.7 | L129 E130 A135 L136 V137 | L129-N133 VanDerWaalsContact O-CB 3.27Å; L129-N133 WeakPolarHBondContact O-CB 3.16Å; L129-N133 PolarHBondContact O-N 3.1Å; E130-N133 PolarHBondContact O-N 2.89Å; N133-A135 VanDerWaalsContact C-N 3.33Å; N133-A135 PolarHBondContact O-N 3.47Å; N133-L136 PolarHBondContact O-N 3.31Å; N133-V137 WeakPolarHBondContact O-CB 3.45Å; N133-V137 VanDerWaalsContact O-CG2 3.23Å; N133-V137 WeakPolarHBondContact O-CG2 3.37Å; N133-V137 PolarHBondContact O-N 2.84Å |
| 134 | Q | 95.3 | Very high | 91 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 173.5 | -76.6 | 175.2 | 1.9 | 0 | 0 | 111.2 | E130 T131 L136 V137 L138 | E130-Q134 WeakPolarHBondContact O-CB 3.27Å; E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.14Å; T131-Q134 PolarHBondContact O-N 3.32Å; Q134-L136 PolarHBondContact O-N 2.82Å; Q134-V137 PolarHBondContact O-N 2.79Å; Q134-L138 WeakPolarHBondContact O-CG 3.28Å; Q134-L138 PolarHBondContact O-N 3.48Å |
| 135 | A | 94.7 | Very high | 89.9 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T131 Q132 N133 L138 E139 | T131-A135 WeakPolarHBondContact O-CB 3.47Å; T131-A135 PolarHBondContact O-N 3.01Å; Q132-A135 PolarHBondContact O-N 3.48Å; N133-A135 VanDerWaalsContact C-N 3.33Å; N133-A135 PolarHBondContact O-N 3.47Å; A135-L138 PolarHBondContact O-N 3.5Å; A135-E139 WeakPolarHBondContact O-CB 3.34Å; A135-E139 PolarHBondContact O-N 3.35Å |
| 136 | L | 93.3 | Very high | 88.5 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 176.2 | -73.1 | 170.5 | 0 | 0 | 0 | 112.3 | Q132 N133 Q134 E139 V140 | Q132-L136 HydrophobicContact CG-CD1 4.35Å; Q132-L136 WeakPolarHBondContact O-CG 3.28Å; Q132-L136 PolarHBondContact O-N 2.88Å; N133-L136 PolarHBondContact O-N 3.31Å; Q134-L136 PolarHBondContact O-N 2.82Å; L136-E139 PolarHBondContact O-N 3.22Å; L136-V140 WeakPolarHBondContact O-CB 3.48Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.29Å; L136-V140 PolarHBondContact O-N 2.87Å |
| 137 | V | 92.9 | Very high | 86.8 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | N133 Q134 V140 Q141 | N133-V137 WeakPolarHBondContact O-CB 3.45Å; N133-V137 VanDerWaalsContact O-CG2 3.23Å; N133-V137 WeakPolarHBondContact O-CG2 3.37Å; N133-V137 PolarHBondContact O-N 2.84Å; Q134-V137 PolarHBondContact O-N 2.79Å; V137-V140 PolarHBondContact O-N 3.49Å; V137-Q141 WeakPolarHBondContact O-CB 3.4Å; V137-Q141 WeakPolarHBondContact O-CG 3.48Å; V137-Q141 PolarHBondContact O-N 2.95Å |
| 138 | L | 91.9 | Very high | 85.2 | Confident | 110 Ų | 110 | 105 Ų | 105 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 175.2 | -71.5 | 173.8 | 0 | 0 | 0 | 111.7 | Q134 A135 Q141 R142 | Q134-L138 WeakPolarHBondContact O-CG 3.28Å; Q134-L138 PolarHBondContact O-N 3.48Å; A135-L138 PolarHBondContact O-N 3.5Å; L138-Q141 PolarHBondContact O-N 3.45Å; L138-R142 WeakPolarHBondContact O-CB 3.5Å; L138-R142 PolarHBondContact O-N 2.83Å |
| 139 | E | 89.8 | Confident | 83.5 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.8 | -171.5 | 59.7 | -164.3 | 0 | 0 | 111.7 | A135 L136 R142 L143 | A135-E139 WeakPolarHBondContact O-CB 3.34Å; A135-E139 PolarHBondContact O-N 3.35Å; L136-E139 PolarHBondContact O-N 3.22Å; E139-R142 PolarHBondContact O-N 3.13Å; E139-R142 IonicContact OE1-CZ 3.39Å; E139-R142 IonicContact OE1-NE 3.26Å; E139-R142 PolarHBondContact OE1-NE 3.38Å; E139-R142 IonicContact OE1-NH2 2.86Å; E139-R142 PolarHBondContact OE1-NH2 3.42Å; E139-R142 IonicContact OE2-CZ 3.82Å; E139-R142 IonicContact OE2-NE 2.93Å; E139-R142 PolarHBondContact OE2-NE 3.34Å; E139-R142 IonicContact OE2-NH2 3.14Å; E139-L143 HydrophobicContact CG-CD1 4.23Å; E139-L143 WeakPolarHBondContact O-CB 3.42Å; E139-L143 VanDerWaalsContact O-CG 3.24Å; E139-L143 WeakPolarHBondContact O-CG 3.29Å; E139-L143 PolarHBondContact O-N 2.88Å |
| 140 | V | 86.2 | Confident | 82 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 42% | 0.424 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 173 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | L136 V137 L143 R144 | L136-V140 WeakPolarHBondContact O-CB 3.48Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.29Å; L136-V140 PolarHBondContact O-N 2.87Å; V137-V140 PolarHBondContact O-N 3.49Å; V140-L143 PolarHBondContact O-N 2.77Å; V140-R144 HydrophobicContact CG1-CG 4.47Å; V140-R144 WeakPolarHBondContact O-CB 3.38Å; V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.12Å |
| 141 | Q | 85 | Confident | 81.1 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 173.8 | -77.3 | 177.1 | -7.5 | 0 | 0 | 111.1 | V137 L138 L143 R144 D145 | V137-Q141 WeakPolarHBondContact O-CB 3.4Å; V137-Q141 WeakPolarHBondContact O-CG 3.48Å; V137-Q141 PolarHBondContact O-N 2.95Å; L138-Q141 PolarHBondContact O-N 3.45Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 2.86Å; Q141-R144 PolarHBondContact O-N 2.8Å; Q141-D145 WeakPolarHBondContact O-CB 3.29Å; Q141-D145 VanDerWaalsContact O-CG 3.31Å; Q141-D145 PolarHBondContact O-N 3.4Å |
| 142 | R | 83.9 | Confident | 80.4 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176.5 | -166.2 | -168.6 | 75.1 | 77.4 | 1.5 | 112.5 | L138 E139 R146 | L138-R142 WeakPolarHBondContact O-CB 3.5Å; L138-R142 PolarHBondContact O-N 2.83Å; E139-R142 PolarHBondContact O-N 3.13Å; E139-R142 IonicContact OE1-CZ 3.39Å; E139-R142 IonicContact OE1-NE 3.26Å; E139-R142 PolarHBondContact OE1-NE 3.38Å; E139-R142 IonicContact OE1-NH2 2.86Å; E139-R142 PolarHBondContact OE1-NH2 3.42Å; E139-R142 IonicContact OE2-CZ 3.82Å; E139-R142 IonicContact OE2-NE 2.93Å; E139-R142 PolarHBondContact OE2-NE 3.34Å; E139-R142 IonicContact OE2-NH2 3.14Å; R142-R146 WeakPolarHBondContact O-CB 3.28Å; R142-R146 PolarHBondContact O-N 3.36Å |
| 143 | L | 79.2 | Confident | 80 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 44% | 0.44 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.2 | -36.9 | 176.3 | -72.4 | 172.7 | 0 | 0 | 0 | 112 | E139 V140 Q141 R146 E147 | E139-L143 HydrophobicContact CG-CD1 4.23Å; E139-L143 WeakPolarHBondContact O-CB 3.42Å; E139-L143 VanDerWaalsContact O-CG 3.24Å; E139-L143 WeakPolarHBondContact O-CG 3.29Å; E139-L143 PolarHBondContact O-N 2.88Å; V140-L143 PolarHBondContact O-N 2.77Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 2.86Å; L143-R146 CarbonylContact O-C 3.54Å; L143-R146 VanDerWaalsContact O-C 3.26Å; L143-R146 WeakPolarHBondContact O-CA 3.5Å; L143-R146 WeakPolarHBondContact O-CB 3.23Å; L143-R146 PolarHBondContact O-N 2.91Å; L143-E147 PolarHBondContact O-N 2.85Å |
| 144 | R | 74.9 | Confident | 79.6 | Confident | 163 Ų | 163 | 107.9 Ų | 107.9 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 173 | -80.3 | 179.6 | 174.4 | -178.1 | 0.3 | 113.1 | V140 Q141 R146 E147 | V140-R144 HydrophobicContact CG1-CG 4.47Å; V140-R144 WeakPolarHBondContact O-CB 3.38Å; V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.12Å; Q141-R144 PolarHBondContact O-N 2.8Å; R144-R146 PolarHBondContact O-N 3.28Å; R144-E147 VanDerWaalsContact O-CB 3.25Å; R144-E147 WeakPolarHBondContact O-CB 3.38Å; R144-E147 PolarHBondContact O-N 3.28Å |
| 145 | D | 69.3 | Low | 79.3 | Confident | 136 Ų | 136 | 108.5 Ų | 108.5 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.8 | -19.9 | 172.8 | -66.5 | -20.4 | 0 | 0 | 0 | 111.4 | Q141 | Q141-D145 WeakPolarHBondContact O-CB 3.29Å; Q141-D145 VanDerWaalsContact O-CG 3.31Å; Q141-D145 PolarHBondContact O-N 3.4Å |
| 146 | R | 66.8 | Low | 79.1 | Confident | 184 Ų | 184 | 110.3 Ų | 110.3 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.3 | 171.7 | -169.7 | 166.1 | 162.4 | 130 | -5.3 | 112.9 | R142 L143 R144 T148 | R142-R146 WeakPolarHBondContact O-CB 3.28Å; R142-R146 PolarHBondContact O-N 3.36Å; L143-R146 CarbonylContact O-C 3.54Å; L143-R146 VanDerWaalsContact O-C 3.26Å; L143-R146 WeakPolarHBondContact O-CA 3.5Å; L143-R146 WeakPolarHBondContact O-CB 3.23Å; L143-R146 PolarHBondContact O-N 2.91Å; R144-R146 PolarHBondContact O-N 3.28Å; R146-T148 VanDerWaalsContact C-N 3.32Å; R146-T148 PolarHBondContact O-N 3.41Å |
| 147 | E | 58.6 | Low | 79.1 | Confident | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -68.9 | 86.8 | 172.9 | -77.3 | 175.6 | -176.4 | 0 | 0 | 110.2 | L143 R144 P149 | L143-E147 PolarHBondContact O-N 2.85Å; R144-E147 VanDerWaalsContact O-CB 3.25Å; R144-E147 WeakPolarHBondContact O-CB 3.38Å; R144-E147 PolarHBondContact O-N 3.28Å; E147-P149 VanDerWaalsContact C-CD 3.43Å; E147-P149 WeakPolarHBondContact O-CD 3.42Å |
| 148 | T | 59.5 | Low | 79.2 | Confident | 103 Ų | 103 | 112.1 Ų | 112.1 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | trans | 47.4 | 50.6 | 145.7 | 59.8 | 0 | 0 | 0 | 0 | 119.2 | R146 R150 | R146-T148 VanDerWaalsContact C-N 3.32Å; R146-T148 PolarHBondContact O-N 3.41Å; T148-R150 PolarHBondContact O-N 3.45Å | ||
| 149 | P | 59.8 | Low | 79.3 | Confident | 93 Ų | 93 | 110.9 Ų | 110.9 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -85.5 | 59.1 | 157.3 | 36.6 | -30.1 | 0 | 0 | 0 | 109.4 | E147 | E147-P149 VanDerWaalsContact C-CD 3.43Å; E147-P149 WeakPolarHBondContact O-CD 3.42Å |
| 150 | R | 62.8 | Low | 79.7 | Confident | 184 Ų | 184 | 110.5 Ų | 110.5 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -151.2 | -36.7 | -177.5 | -141.8 | 161.5 | -148.1 | -125.5 | -3.8 | 116.3 | T148 L154 | T148-R150 PolarHBondContact O-N 3.45Å; R150-L154 HydrophobicContact CG-CD1 4.08Å; R150-L154 HydrophobicContact CG-CG 4.32Å; R150-L154 WeakPolarHBondContact O-CB 3.37Å; R150-L154 VanDerWaalsContact O-CD1 3.29Å; R150-L154 WeakPolarHBondContact O-CD1 3.42Å; R150-L154 WeakPolarHBondContact O-CG 3.33Å; R150-L154 PolarHBondContact O-N 2.89Å |
| 151 | I | 75.9 | Confident | 80.2 | Confident | 101 Ų | 101 | 110.6 Ų | 110.6 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75 | -45.3 | -175.8 | -62.8 | 174 | 0 | 0 | 0 | 110.6 | D153 L154 Y155 | I151-D153 VanDerWaalsContact C-N 3.35Å; I151-D153 PolarHBondContact O-N 3.42Å; I151-L154 PolarHBondContact O-N 3.42Å; I151-Y155 HydrophobicContact CG2-CD2 3.63Å; I151-Y155 HydrophobicContact CG2-CE2 3.3Å; I151-Y155 WeakPolarHBondContact O-CD2 3.38Å; I151-Y155 PolarHBondContact O-N 2.9Å |
| 152 | A | 80.8 | Confident | 80.8 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y155 Q156 | A152-Y155 PolarHBondContact O-N 3.2Å; A152-Q156 VanDerWaalsContact O-CB 3.31Å; A152-Q156 WeakPolarHBondContact O-CB 3.36Å; A152-Q156 PolarHBondContact O-N 2.92Å |
| 153 | D | 85.3 | Confident | 81.4 | Confident | 88 Ų | 88 | 112.3 Ų | 112.3 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 178.3 | -56.5 | -37.6 | 0 | 0 | 0 | 111.8 | I151 Q156 D157 | I151-D153 VanDerWaalsContact C-N 3.35Å; I151-D153 PolarHBondContact O-N 3.42Å; D153-Q156 WeakPolarHBondContact O-CB 3.44Å; D153-Q156 PolarHBondContact O-N 3.46Å; D153-D157 WeakPolarHBondContact O-CB 3.32Å; D153-D157 VanDerWaalsContact O-CG 3.27Å; D153-D157 PolarHBondContact O-N 2.91Å |
| 154 | L | 86.1 | Confident | 82.3 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.7 | -74.2 | 169 | 0 | 0 | 0 | 112 | R150 I151 Q156 D157 E158 | R150-L154 HydrophobicContact CG-CD1 4.08Å; R150-L154 HydrophobicContact CG-CG 4.32Å; R150-L154 WeakPolarHBondContact O-CB 3.37Å; R150-L154 VanDerWaalsContact O-CD1 3.29Å; R150-L154 WeakPolarHBondContact O-CD1 3.42Å; R150-L154 WeakPolarHBondContact O-CG 3.33Å; R150-L154 PolarHBondContact O-N 2.89Å; I151-L154 PolarHBondContact O-N 3.42Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 2.91Å; L154-D157 PolarHBondContact O-N 3.45Å; L154-E158 WeakPolarHBondContact O-CG 3.47Å; L154-E158 PolarHBondContact O-N 2.89Å |
| 155 | Y | 88.4 | Confident | 83.4 | Confident | 142 Ų | 142 | 110.7 Ų | 110.7 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -34.8 | 174.7 | -75.4 | -55.4 | 0 | 0 | 0 | 112.1 | I151 A152 E158 M159 | I151-Y155 HydrophobicContact CG2-CD2 3.63Å; I151-Y155 HydrophobicContact CG2-CE2 3.3Å; I151-Y155 WeakPolarHBondContact O-CD2 3.38Å; I151-Y155 PolarHBondContact O-N 2.9Å; A152-Y155 PolarHBondContact O-N 3.2Å; Y155-E158 PolarHBondContact O-N 3.32Å; Y155-M159 WeakPolarHBondContact O-CB 3.45Å; Y155-M159 VanDerWaalsContact O-CG 3.25Å; Y155-M159 WeakPolarHBondContact O-CG 3.38Å; Y155-M159 PolarHBondContact O-N 3.36Å |
| 156 | Q | 91.4 | Very high | 84.8 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.1 | -171.6 | 61.7 | 32.4 | 0 | 0 | 111.3 | A152 D153 L154 M159 N160 | A152-Q156 VanDerWaalsContact O-CB 3.31Å; A152-Q156 WeakPolarHBondContact O-CB 3.36Å; A152-Q156 PolarHBondContact O-N 2.92Å; D153-Q156 WeakPolarHBondContact O-CB 3.44Å; D153-Q156 PolarHBondContact O-N 3.46Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 2.91Å; Q156-M159 PolarHBondContact O-N 3.16Å; Q156-N160 PolarHBondContact NE2-OD1 2.95Å; Q156-N160 WeakPolarHBondContact O-CB 3.35Å; Q156-N160 PolarHBondContact O-N 2.91Å; Q156-N160 PolarHBondContact O-ND2 3.45Å |
| 157 | D | 92.8 | Very high | 86.3 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 175 | -72.6 | -19.9 | 0 | 0 | 0 | 111.5 | D153 L154 N160 E161 | D153-D157 WeakPolarHBondContact O-CB 3.32Å; D153-D157 VanDerWaalsContact O-CG 3.27Å; D153-D157 PolarHBondContact O-N 2.91Å; L154-D157 PolarHBondContact O-N 3.45Å; D157-N160 PolarHBondContact O-N 2.87Å; D157-E161 WeakPolarHBondContact O-CB 3.47Å; D157-E161 PolarHBondContact O-N 3.02Å |
| 158 | E | 94.2 | Very high | 88.2 | Confident | 110 Ų | 110 | 103.3 Ų | 103.3 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 173.3 | -75.1 | -177.7 | 175.6 | 0 | 0 | 111.9 | L154 Y155 N160 E161 L162 | L154-E158 WeakPolarHBondContact O-CG 3.47Å; L154-E158 PolarHBondContact O-N 2.89Å; Y155-E158 PolarHBondContact O-N 3.32Å; E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 3.28Å; E158-E161 PolarHBondContact O-N 3.38Å; E158-L162 WeakPolarHBondContact O-CB 3.31Å; E158-L162 VanDerWaalsContact O-CG 3.31Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 3.03Å |
| 159 | M | 95.1 | Very high | 90 | Very high | 84 Ų | 84 | 104 Ų | 104 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175.2 | -76.8 | -57.8 | 107.4 | 0 | 0 | 112.1 | Y155 Q156 L162 R163 | Y155-M159 WeakPolarHBondContact O-CB 3.45Å; Y155-M159 VanDerWaalsContact O-CG 3.25Å; Y155-M159 WeakPolarHBondContact O-CG 3.38Å; Y155-M159 PolarHBondContact O-N 3.36Å; Q156-M159 PolarHBondContact O-N 3.16Å; M159-L162 HydrophobicContact CE-CD1 3.62Å; M159-R163 WeakPolarHBondContact O-CB 3.46Å; M159-R163 WeakPolarHBondContact O-CG 3.48Å; M159-R163 PolarHBondContact O-N 3.4Å |
| 160 | N | 96.9 | Very high | 91.8 | Very high | 72 Ų | 72 | 103.3 Ų | 103.3 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.6 | -70.2 | -23.1 | 0 | 0 | 0 | 111.1 | Q156 D157 E158 R163 R164 | Q156-N160 PolarHBondContact NE2-OD1 2.95Å; Q156-N160 WeakPolarHBondContact O-CB 3.35Å; Q156-N160 PolarHBondContact O-N 2.91Å; Q156-N160 PolarHBondContact O-ND2 3.45Å; D157-N160 PolarHBondContact O-N 2.87Å; E158-N160 VanDerWaalsContact C-N 3.35Å; E158-N160 PolarHBondContact O-N 3.28Å; N160-R163 PolarHBondContact O-N 2.99Å; N160-R164 WeakPolarHBondContact O-CB 3.36Å; N160-R164 PolarHBondContact O-N 3.34Å |
| 161 | E | 97.3 | Very high | 93.5 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 177.4 | 179.7 | 54.4 | -155.3 | 0 | 0 | 111.8 | D157 E158 R163 R164 Q165 | D157-E161 WeakPolarHBondContact O-CB 3.47Å; D157-E161 PolarHBondContact O-N 3.02Å; E158-E161 PolarHBondContact O-N 3.38Å; E161-R163 VanDerWaalsContact C-N 3.34Å; E161-R163 PolarHBondContact O-N 2.83Å; E161-R164 WeakPolarHBondContact O-CB 3.14Å; E161-R164 PolarHBondContact O-N 3.06Å; E161-R164 IonicContact OE1-CZ 2.6Å; E161-R164 IonicContact OE1-NE 2.73Å; E161-R164 IonicContact OE1-NH2 3.59Å; E161-R164 PolarHBondContact OE1-NH2 2.91Å; E161-R164 IonicContact OE2-CZ 2.69Å; E161-R164 IonicContact OE2-NE 3.79Å; E161-R164 PolarHBondContact OE2-NE 2.95Å; E161-R164 IonicContact OE2-NH2 3.05Å; E161-Q165 WeakPolarHBondContact O-CG 3.33Å; E161-Q165 PolarHBondContact O-N 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 2.95Å |
| 162 | L | 97.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.3 | -74.2 | 171.4 | 0 | 0 | 0 | 111.7 | E158 M159 R164 Q165 V166 | E158-L162 WeakPolarHBondContact O-CB 3.31Å; E158-L162 VanDerWaalsContact O-CG 3.31Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 3.03Å; M159-L162 HydrophobicContact CE-CD1 3.62Å; L162-R164 VanDerWaalsContact C-N 3.35Å; L162-R164 PolarHBondContact O-N 3.28Å; L162-Q165 PolarHBondContact O-N 3.33Å; L162-V166 WeakPolarHBondContact O-CG2 3.49Å; L162-V166 PolarHBondContact O-N 3.4Å |
| 163 | R | 97.7 | Very high | 95.3 | Very high | 168 Ų | 168 | 103 Ų | 103 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 174 | -74.9 | 170.9 | -177.1 | -169.1 | 1.2 | 111.6 | M159 N160 E161 Q165 V166 E167 | M159-R163 WeakPolarHBondContact O-CB 3.46Å; M159-R163 WeakPolarHBondContact O-CG 3.48Å; M159-R163 PolarHBondContact O-N 3.4Å; N160-R163 PolarHBondContact O-N 2.99Å; E161-R163 VanDerWaalsContact C-N 3.34Å; E161-R163 PolarHBondContact O-N 2.83Å; R163-Q165 VanDerWaalsContact C-N 3.33Å; R163-Q165 PolarHBondContact O-N 3.4Å; R163-V166 PolarHBondContact O-N 2.93Å; R163-E167 PolarHBondContact O-N 2.93Å |
| 164 | R | 98 | Very high | 95.9 | Very high | 127 Ų | 127 | 100.9 Ų | 100.9 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176 | -165.1 | -169.8 | 71.7 | 77.5 | 4.7 | 111.5 | N160 E161 L162 E167 V168 | N160-R164 WeakPolarHBondContact O-CB 3.36Å; N160-R164 PolarHBondContact O-N 3.34Å; E161-R164 WeakPolarHBondContact O-CB 3.14Å; E161-R164 PolarHBondContact O-N 3.06Å; E161-R164 IonicContact OE1-CZ 2.6Å; E161-R164 IonicContact OE1-NE 2.73Å; E161-R164 IonicContact OE1-NH2 3.59Å; E161-R164 PolarHBondContact OE1-NH2 2.91Å; E161-R164 IonicContact OE2-CZ 2.69Å; E161-R164 IonicContact OE2-NE 3.79Å; E161-R164 PolarHBondContact OE2-NE 2.95Å; E161-R164 IonicContact OE2-NH2 3.05Å; L162-R164 VanDerWaalsContact C-N 3.35Å; L162-R164 PolarHBondContact O-N 3.28Å; R164-E167 PolarHBondContact O-N 3.37Å; R164-V168 VanDerWaalsContact O-CG2 3.3Å; R164-V168 WeakPolarHBondContact O-CG2 3.33Å; R164-V168 PolarHBondContact O-N 2.95Å |
| 165 | Q | 97.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 104.7 Ų | 104.7 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.7 | -72.3 | 175.4 | 17.8 | 0 | 0 | 111.9 | E161 L162 R163 E167 V168 L169 | E161-Q165 WeakPolarHBondContact O-CG 3.33Å; E161-Q165 PolarHBondContact O-N 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 2.95Å; L162-Q165 PolarHBondContact O-N 3.33Å; R163-Q165 VanDerWaalsContact C-N 3.33Å; R163-Q165 PolarHBondContact O-N 3.4Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-E167 PolarHBondContact O-N 3.48Å; Q165-V168 PolarHBondContact O-N 2.88Å; Q165-L169 WeakPolarHBondContact O-CB 3.48Å; Q165-L169 VanDerWaalsContact O-CG 3.31Å; Q165-L169 WeakPolarHBondContact O-CG 3.43Å; Q165-L169 PolarHBondContact O-N 2.88Å |
| 166 | V | 98.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 101.8 Ų | 101.8 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.2 | -44.1 | 174.4 | 170 | 0 | 0 | 0 | 0 | 110.8 | L162 R163 L169 T170 | L162-V166 WeakPolarHBondContact O-CG2 3.49Å; L162-V166 PolarHBondContact O-N 3.4Å; R163-V166 PolarHBondContact O-N 2.93Å; V166-L169 PolarHBondContact O-N 3.43Å; V166-T170 VanDerWaalsContact O-CB 3.3Å; V166-T170 WeakPolarHBondContact O-CB 3.38Å; V166-T170 PolarHBondContact O-N 2.95Å; V166-T170 PolarHBondContact O-OG1 3.24Å |
| 167 | E | 98.1 | Very high | 97 | Very high | 124 Ų | 124 | 100.5 Ų | 100.5 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 177.5 | -171.9 | -179.9 | 178.6 | 0 | 0 | 111.8 | R163 R164 Q165 L169 T170 N171 | R163-E167 PolarHBondContact O-N 2.93Å; R164-E167 PolarHBondContact O-N 3.37Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-E167 PolarHBondContact O-N 3.48Å; E167-L169 PolarHBondContact O-N 3.34Å; E167-T170 PolarHBondContact O-N 3.38Å; E167-N171 WeakPolarHBondContact O-CB 3.28Å; E167-N171 VanDerWaalsContact O-CG 3.3Å; E167-N171 PolarHBondContact O-N 2.99Å; E167-N171 PolarHBondContact O-ND2 3.44Å |
| 168 | V | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | R164 Q165 T170 N171 H172 | R164-V168 VanDerWaalsContact O-CG2 3.3Å; R164-V168 WeakPolarHBondContact O-CG2 3.33Å; R164-V168 PolarHBondContact O-N 2.95Å; Q165-V168 PolarHBondContact O-N 2.88Å; V168-T170 VanDerWaalsContact C-N 3.34Å; V168-N171 PolarHBondContact O-N 3.39Å; V168-H172 WeakPolarHBondContact O-CB 3.45Å; V168-H172 PolarHBondContact O-N 3.11Å |
| 169 | L | 97.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 99.7 Ų | 99.7 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 177.5 | -72.8 | 174.1 | 0 | 0 | 0 | 111.8 | Q165 V166 E167 H172 R173 | Q165-L169 WeakPolarHBondContact O-CB 3.48Å; Q165-L169 VanDerWaalsContact O-CG 3.31Å; Q165-L169 WeakPolarHBondContact O-CG 3.43Å; Q165-L169 PolarHBondContact O-N 2.88Å; V166-L169 PolarHBondContact O-N 3.43Å; E167-L169 PolarHBondContact O-N 3.34Å; L169-H172 PolarHBondContact O-N 3.48Å; L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 PolarHBondContact O-N 3.09Å |
| 170 | T | 98 | Very high | 97.2 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | V166 E167 V168 R173 A174 | V166-T170 VanDerWaalsContact O-CB 3.3Å; V166-T170 WeakPolarHBondContact O-CB 3.38Å; V166-T170 PolarHBondContact O-N 2.95Å; V166-T170 PolarHBondContact O-OG1 3.24Å; E167-T170 PolarHBondContact O-N 3.38Å; V168-T170 VanDerWaalsContact C-N 3.34Å; T170-R173 PolarHBondContact O-N 2.99Å; T170-A174 WeakPolarHBondContact O-CB 3.37Å; T170-A174 PolarHBondContact O-N 2.88Å |
| 171 | N | 98.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.1 | -73.4 | -29.3 | 0 | 0 | 0 | 112.1 | E167 V168 A174 R175 | E167-N171 WeakPolarHBondContact O-CB 3.28Å; E167-N171 VanDerWaalsContact O-CG 3.3Å; E167-N171 PolarHBondContact O-N 2.99Å; E167-N171 PolarHBondContact O-ND2 3.44Å; V168-N171 PolarHBondContact O-N 3.39Å; N171-A174 PolarHBondContact O-N 3.26Å; N171-R175 WeakPolarHBondContact O-CG 3.47Å; N171-R175 PolarHBondContact O-N 3.16Å |
| 172 | H | 97.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176 | -172.4 | 52.5 | 0 | 0 | 0 | 111.5 | V168 L169 R175 L176 | V168-H172 WeakPolarHBondContact O-CB 3.45Å; V168-H172 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 3.48Å; H172-R175 PolarHBondContact O-N 2.9Å; H172-L176 WeakPolarHBondContact O-CG 3.43Å; H172-L176 PolarHBondContact O-N 3.4Å |
| 173 | R | 97.6 | Very high | 96.5 | Very high | 165 Ų | 165 | 104.7 Ų | 104.7 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 174.3 | 178.5 | -179.4 | 167.7 | -179.8 | -3.7 | 111.6 | L169 T170 R175 L176 E177 | L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 PolarHBondContact O-N 3.09Å; T170-R173 PolarHBondContact O-N 2.99Å; R173-R175 VanDerWaalsContact C-N 3.3Å; R173-R175 PolarHBondContact O-N 2.87Å; R173-L176 PolarHBondContact O-N 2.76Å; R173-E177 HydrophobicContact CG-CG 4.42Å; R173-E177 IonicContact CZ-OE1 2.99Å; R173-E177 IonicContact NE-OE1 2.65Å; R173-E177 PolarHBondContact NE-OE1 2.66Å; R173-E177 IonicContact NH2-OE1 2.8Å; R173-E177 PolarHBondContact NH2-OE1 2.94Å; R173-E177 VanDerWaalsContact NH2-OE1 3.09Å; R173-E177 WeakPolarHBondContact O-CG 3.25Å; R173-E177 PolarHBondContact O-N 3.23Å |
| 174 | A | 96.9 | Very high | 96.1 | Very high | 45 Ų | 45 | 98.7 Ų | 98.7 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T170 N171 E177 V178 | T170-A174 WeakPolarHBondContact O-CB 3.37Å; T170-A174 PolarHBondContact O-N 2.88Å; N171-A174 PolarHBondContact O-N 3.26Å; A174-E177 PolarHBondContact O-N 2.9Å; A174-V178 WeakPolarHBondContact O-CG2 3.33Å; A174-V178 PolarHBondContact O-N 3.1Å; A174-V178 VanDerWaalsContact O-N 3.07Å |
| 175 | R | 97.6 | Very high | 96 | Very high | 170 Ų | 170 | 97 Ų | 97 | 64% | 0.642 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -46.2 | 174 | -71.8 | 173.6 | -172.9 | -175.9 | 2.1 | 112.1 | N171 H172 R173 E177 V178 E179 | N171-R175 WeakPolarHBondContact O-CG 3.47Å; N171-R175 PolarHBondContact O-N 3.16Å; H172-R175 PolarHBondContact O-N 2.9Å; R173-R175 VanDerWaalsContact C-N 3.3Å; R173-R175 PolarHBondContact O-N 2.87Å; R175-E177 VanDerWaalsContact C-N 3.31Å; R175-E177 PolarHBondContact O-N 2.93Å; R175-V178 PolarHBondContact O-N 3.18Å; R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.07Å |
| 176 | L | 95.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 96.7 Ų | 96.7 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 177.7 | -71 | 176.5 | 0 | 0 | 0 | 112.4 | H172 R173 E179 R180 | H172-L176 WeakPolarHBondContact O-CG 3.43Å; H172-L176 PolarHBondContact O-N 3.4Å; R173-L176 PolarHBondContact O-N 2.76Å; L176-E179 PolarHBondContact O-N 2.92Å; L176-R180 VanDerWaalsContact O-CB 3.31Å; L176-R180 WeakPolarHBondContact O-CB 3.32Å; L176-R180 PolarHBondContact O-N 3.29Å |
| 177 | E | 96.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 96.8 Ų | 96.8 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.3 | -76.3 | 173.6 | 177.7 | 0 | 0 | 110.9 | R173 A174 R175 R180 D181 | R173-E177 HydrophobicContact CG-CG 4.42Å; R173-E177 IonicContact CZ-OE1 2.99Å; R173-E177 IonicContact NE-OE1 2.65Å; R173-E177 PolarHBondContact NE-OE1 2.66Å; R173-E177 IonicContact NH2-OE1 2.8Å; R173-E177 PolarHBondContact NH2-OE1 2.94Å; R173-E177 VanDerWaalsContact NH2-OE1 3.09Å; R173-E177 WeakPolarHBondContact O-CG 3.25Å; R173-E177 PolarHBondContact O-N 3.23Å; A174-E177 PolarHBondContact O-N 2.9Å; R175-E177 VanDerWaalsContact C-N 3.31Å; R175-E177 PolarHBondContact O-N 2.93Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 3Å; E177-D181 VanDerWaalsContact O-CG 3.26Å; E177-D181 PolarHBondContact O-N 2.86Å |
| 178 | V | 97.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 94.7 Ų | 94.7 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | A174 R175 R180 D181 N182 | A174-V178 WeakPolarHBondContact O-CG2 3.33Å; A174-V178 PolarHBondContact O-N 3.1Å; A174-V178 VanDerWaalsContact O-N 3.07Å; R175-V178 PolarHBondContact O-N 3.18Å; V178-R180 VanDerWaalsContact C-N 3.33Å; V178-R180 PolarHBondContact O-N 3.34Å; V178-D181 PolarHBondContact O-N 3.11Å; V178-N182 WeakPolarHBondContact O-CB 3.44Å; V178-N182 PolarHBondContact O-N 2.86Å; V178-N182 PolarHBondContact O-ND2 3.48Å |
| 179 | E | 94.6 | Very high | 94.5 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.2 | -74.5 | 175.6 | -169.1 | 0 | 0 | 112 | R175 L176 D181 N182 L183 | R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.07Å; L176-E179 PolarHBondContact O-N 2.92Å; E179-D181 VanDerWaalsContact C-N 3.35Å; E179-N182 PolarHBondContact O-N 3.08Å; E179-L183 WeakPolarHBondContact O-CB 3.4Å; E179-L183 VanDerWaalsContact O-CG 3.27Å; E179-L183 WeakPolarHBondContact O-CG 3.44Å; E179-L183 PolarHBondContact O-N 3.29Å |
| 180 | R | 93.9 | Very high | 94 | Very high | 142 Ų | 142 | 95.1 Ų | 95.1 | 54% | 0.536 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.6 | 178.3 | -149.1 | 64.5 | -166.1 | -9 | 110.9 | L176 E177 V178 L183 A184 | L176-R180 VanDerWaalsContact O-CB 3.31Å; L176-R180 WeakPolarHBondContact O-CB 3.32Å; L176-R180 PolarHBondContact O-N 3.29Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 3Å; V178-R180 VanDerWaalsContact C-N 3.33Å; V178-R180 PolarHBondContact O-N 3.34Å; R180-L183 PolarHBondContact O-N 3.37Å; R180-A184 WeakPolarHBondContact O-CB 3.42Å; R180-A184 PolarHBondContact O-N 3.29Å |
| 181 | D | 95.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 96.4 Ų | 96.4 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | -178.4 | -69.2 | -15.9 | 0 | 0 | 0 | 111.6 | E177 V178 E179 L183 A184 D185 | E177-D181 VanDerWaalsContact O-CG 3.26Å; E177-D181 PolarHBondContact O-N 2.86Å; V178-D181 PolarHBondContact O-N 3.11Å; E179-D181 VanDerWaalsContact C-N 3.35Å; D181-L183 VanDerWaalsContact C-N 3.34Å; D181-L183 PolarHBondContact O-N 2.96Å; D181-A184 WeakPolarHBondContact O-CB 3.41Å; D181-A184 PolarHBondContact O-N 3.32Å; D181-D185 PolarHBondContact O-N 2.88Å |
| 182 | N | 92.3 | Very high | 93 | Very high | 87 Ų | 87 | 97.3 Ų | 97.3 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 173.5 | -68.5 | -26.4 | 0 | 0 | 0 | 112.1 | V178 E179 A184 D185 D186 | V178-N182 WeakPolarHBondContact O-CB 3.44Å; V178-N182 PolarHBondContact O-N 2.86Å; V178-N182 PolarHBondContact O-ND2 3.48Å; E179-N182 PolarHBondContact O-N 3.08Å; N182-A184 VanDerWaalsContact C-N 3.33Å; N182-D185 PolarHBondContact O-N 3.5Å; N182-D186 PolarHBondContact O-N 2.89Å |
| 183 | L | 90.2 | Very high | 92.7 | Very high | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.2 | -34.2 | 177 | -72.7 | 173.7 | 0 | 0 | 0 | 112.3 | E179 R180 D181 L187 | E179-L183 WeakPolarHBondContact O-CB 3.4Å; E179-L183 VanDerWaalsContact O-CG 3.27Å; E179-L183 WeakPolarHBondContact O-CG 3.44Å; E179-L183 PolarHBondContact O-N 3.29Å; R180-L183 PolarHBondContact O-N 3.37Å; D181-L183 VanDerWaalsContact C-N 3.34Å; D181-L183 PolarHBondContact O-N 2.96Å; L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 2.68Å |
| 184 | A | 90 | Very high | 92.2 | Very high | 42 Ų | 42 | 97.7 Ų | 97.7 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | R180 D181 N182 D186 L187 D188 | R180-A184 WeakPolarHBondContact O-CB 3.42Å; R180-A184 PolarHBondContact O-N 3.29Å; D181-A184 WeakPolarHBondContact O-CB 3.41Å; D181-A184 PolarHBondContact O-N 3.32Å; N182-A184 VanDerWaalsContact C-N 3.33Å; A184-D186 VanDerWaalsContact C-N 3.35Å; A184-D186 PolarHBondContact O-N 3.38Å; A184-L187 PolarHBondContact O-N 3.3Å; A184-D188 PolarHBondContact O-N 3.27Å |
| 185 | D | 94.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 100.9 Ų | 100.9 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.9 | -76.8 | -9.4 | 0 | 0 | 0 | 111.9 | D181 N182 D188 K189 | D181-D185 PolarHBondContact O-N 2.88Å; N182-D185 PolarHBondContact O-N 3.5Å; D185-D188 PolarHBondContact O-N 3.04Å; D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.38Å; D185-K189 PolarHBondContact O-N 2.94Å |
| 186 | D | 91.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 178.1 | -75.7 | -12.5 | 0 | 0 | 0 | 112.2 | N182 A184 D188 K189 V190 | N182-D186 PolarHBondContact O-N 2.89Å; A184-D186 VanDerWaalsContact C-N 3.35Å; A184-D186 PolarHBondContact O-N 3.38Å; D186-D188 VanDerWaalsContact C-N 3.34Å; D186-K189 PolarHBondContact O-N 3.18Å; D186-K189 IonicContact OD1-NZ 2.98Å; D186-K189 PolarHBondContact OD1-NZ 2.9Å; D186-V190 VanDerWaalsContact O-CG2 3.29Å; D186-V190 WeakPolarHBondContact O-CG2 3.39Å; D186-V190 PolarHBondContact O-N 2.88Å |
| 187 | L | 88.4 | Confident | 91 | Very high | 94 Ų | 94 | 99.4 Ų | 99.4 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.5 | 177 | 132.3 | 0 | 0 | 0 | 111.3 | L183 A184 V190 K191 | L183-L187 VanDerWaalsContact O-CB 3.22Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 PolarHBondContact O-N 2.68Å; A184-L187 PolarHBondContact O-N 3.3Å; L187-V190 PolarHBondContact O-N 3.3Å; L187-K191 HydrophobicContact CD2-CD 4.25Å; L187-K191 WeakPolarHBondContact O-CG 3.43Å; L187-K191 PolarHBondContact O-N 3.45Å |
| 188 | D | 91.7 | Very high | 90.3 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 177 | -74.5 | -16.5 | 0 | 0 | 0 | 112.3 | A184 D185 D186 V190 K191 M192 | A184-D188 PolarHBondContact O-N 3.27Å; D185-D188 PolarHBondContact O-N 3.04Å; D186-D188 VanDerWaalsContact C-N 3.34Å; D188-V190 VanDerWaalsContact C-N 3.32Å; D188-V190 PolarHBondContact O-N 2.95Å; D188-K191 PolarHBondContact O-N 3.44Å; D188-K191 IonicContact OD1-NZ 3.5Å; D188-K191 PolarHBondContact OD1-NZ 3.46Å; D188-M192 WeakPolarHBondContact O-CG 3.42Å; D188-M192 PolarHBondContact O-N 2.89Å |
| 189 | K | 90.4 | Very high | 89.9 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 170.2 | -70.6 | 168.1 | -153.7 | 155.2 | 0 | 111.9 | D185 D186 M192 R193 | D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.38Å; D185-K189 PolarHBondContact O-N 2.94Å; D186-K189 PolarHBondContact O-N 3.18Å; D186-K189 IonicContact OD1-NZ 2.98Å; D186-K189 PolarHBondContact OD1-NZ 2.9Å; K189-M192 PolarHBondContact O-N 3.02Å; K189-R193 WeakPolarHBondContact O-CG 3.4Å; K189-R193 PolarHBondContact O-N 3.43Å |
| 190 | V | 87.1 | Confident | 89.5 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.6 | -40.3 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | D186 L187 D188 R193 L194 | D186-V190 VanDerWaalsContact O-CG2 3.29Å; D186-V190 WeakPolarHBondContact O-CG2 3.39Å; D186-V190 PolarHBondContact O-N 2.88Å; L187-V190 PolarHBondContact O-N 3.3Å; D188-V190 VanDerWaalsContact C-N 3.32Å; D188-V190 PolarHBondContact O-N 2.95Å; V190-R193 PolarHBondContact O-N 2.95Å; V190-L194 WeakPolarHBondContact O-CB 3.36Å; V190-L194 PolarHBondContact O-N 3.47Å |
| 191 | K | 86.6 | Confident | 89.2 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.6 | -74.2 | 175.6 | -170 | 155.9 | 0 | 112.1 | L187 D188 L194 Q195 | L187-K191 HydrophobicContact CD2-CD 4.25Å; L187-K191 WeakPolarHBondContact O-CG 3.43Å; L187-K191 PolarHBondContact O-N 3.45Å; D188-K191 PolarHBondContact O-N 3.44Å; D188-K191 IonicContact OD1-NZ 3.5Å; D188-K191 PolarHBondContact OD1-NZ 3.46Å; K191-L194 WeakPolarHBondContact O-CB 3.48Å; K191-L194 PolarHBondContact O-N 2.97Å; K191-Q195 WeakPolarHBondContact O-CG 3.23Å; K191-Q195 PolarHBondContact O-N 2.94Å |
| 192 | M | 89.1 | Confident | 88.8 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.6 | -74.8 | -58 | -53.1 | 0 | 0 | 111.1 | D188 K189 L194 Q195 E196 | D188-M192 WeakPolarHBondContact O-CG 3.42Å; D188-M192 PolarHBondContact O-N 2.89Å; K189-M192 PolarHBondContact O-N 3.02Å; M192-L194 VanDerWaalsContact C-N 3.32Å; M192-L194 PolarHBondContact O-N 3.21Å; M192-Q195 PolarHBondContact O-N 3.46Å; M192-E196 WeakPolarHBondContact O-CG 3.42Å; M192-E196 PolarHBondContact O-N 3.45Å |
| 193 | R | 89.5 | Confident | 88.7 | Confident | 170 Ų | 170 | 103.7 Ų | 103.7 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 174.9 | -73.1 | 178.9 | -179.3 | 173.5 | 1.7 | 112.5 | K189 V190 Q195 E196 E197 | K189-R193 WeakPolarHBondContact O-CG 3.4Å; K189-R193 PolarHBondContact O-N 3.43Å; V190-R193 PolarHBondContact O-N 2.95Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 3.45Å; R193-E196 PolarHBondContact O-N 3.45Å; R193-E197 WeakPolarHBondContact O-CB 3.36Å; R193-E197 VanDerWaalsContact O-CG 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.26Å; R193-E197 PolarHBondContact O-N 3.33Å |
| 194 | L | 87.3 | Confident | 88.4 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 176.5 | 177.8 | 64.6 | 0 | 0 | 0 | 111.5 | V190 K191 M192 E197 I198 | V190-L194 WeakPolarHBondContact O-CB 3.36Å; V190-L194 PolarHBondContact O-N 3.47Å; K191-L194 WeakPolarHBondContact O-CB 3.48Å; K191-L194 PolarHBondContact O-N 2.97Å; M192-L194 VanDerWaalsContact C-N 3.32Å; M192-L194 PolarHBondContact O-N 3.21Å; L194-E197 PolarHBondContact O-N 2.95Å; L194-I198 HydrophobicContact CD1-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CG1 4.45Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 WeakPolarHBondContact O-CD1 3.5Å; L194-I198 VanDerWaalsContact O-CG1 3.22Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.41Å |
| 195 | Q | 87.1 | Confident | 88.4 | Confident | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 176 | -73.1 | 177.9 | -15.8 | 0 | 0 | 111.7 | K191 M192 R193 I198 L199 | K191-Q195 WeakPolarHBondContact O-CG 3.23Å; K191-Q195 PolarHBondContact O-N 2.94Å; M192-Q195 PolarHBondContact O-N 3.46Å; R193-Q195 VanDerWaalsContact C-N 3.33Å; R193-Q195 PolarHBondContact O-N 3.45Å; Q195-I198 PolarHBondContact O-N 3.31Å; Q195-L199 WeakPolarHBondContact O-CG 3.44Å; Q195-L199 PolarHBondContact O-N 2.94Å |
| 196 | E | 88.8 | Confident | 88.1 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.8 | -72.2 | 172 | -175.5 | 0 | 0 | 111.8 | M192 R193 I198 L199 Q200 | M192-E196 WeakPolarHBondContact O-CG 3.42Å; M192-E196 PolarHBondContact O-N 3.45Å; R193-E196 PolarHBondContact O-N 3.45Å; E196-I198 PolarHBondContact O-N 2.87Å; E196-L199 PolarHBondContact O-N 2.85Å; E196-Q200 WeakPolarHBondContact O-CG 3.42Å; E196-Q200 PolarHBondContact O-N 3.32Å |
| 197 | E | 88.6 | Confident | 88.1 | Confident | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.7 | -73.9 | -68.3 | 161.7 | 0 | 0 | 112.5 | R193 L194 Q200 R201 | R193-E197 WeakPolarHBondContact O-CB 3.36Å; R193-E197 VanDerWaalsContact O-CG 3.32Å; R193-E197 WeakPolarHBondContact O-CG 3.26Å; R193-E197 PolarHBondContact O-N 3.33Å; L194-E197 PolarHBondContact O-N 2.95Å; E197-Q200 PolarHBondContact O-N 2.92Å; E197-R201 VanDerWaalsContact O-CB 3.24Å; E197-R201 WeakPolarHBondContact O-CB 3.48Å; E197-R201 PolarHBondContact O-N 3.24Å |
| 198 | I | 83.4 | Confident | 88.2 | Confident | 74 Ų | 74 | 102.4 Ų | 102.4 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.3 | -72.1 | 164.5 | 0 | 0 | 0 | 110.2 | L194 Q195 E196 R201 E202 | L194-I198 HydrophobicContact CD1-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CG1 4.45Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 WeakPolarHBondContact O-CD1 3.5Å; L194-I198 VanDerWaalsContact O-CG1 3.22Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.41Å; Q195-I198 PolarHBondContact O-N 3.31Å; E196-I198 PolarHBondContact O-N 2.87Å; I198-R201 WeakPolarHBondContact O-CB 3.04Å; I198-R201 PolarHBondContact O-N 2.89Å; I198-E202 WeakPolarHBondContact O-CG 3.33Å; I198-E202 PolarHBondContact O-N 3.16Å |
| 199 | L | 87.5 | Confident | 88.2 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 178.8 | -69.6 | 174 | 0 | 0 | 0 | 111.7 | Q195 E196 R201 E202 E203 | Q195-L199 WeakPolarHBondContact O-CG 3.44Å; Q195-L199 PolarHBondContact O-N 2.94Å; E196-L199 PolarHBondContact O-N 2.85Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-E202 PolarHBondContact O-N 3.44Å; L199-E203 WeakPolarHBondContact O-CB 3.46Å; L199-E203 PolarHBondContact O-N 3.38Å |
| 200 | Q | 86.7 | Confident | 88.4 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.9 | -72.1 | 177.6 | 23.5 | 0 | 0 | 112 | E196 E197 E203 A204 | E196-Q200 WeakPolarHBondContact O-CG 3.42Å; E196-Q200 PolarHBondContact O-N 3.32Å; E197-Q200 PolarHBondContact O-N 2.92Å; Q200-E203 PolarHBondContact O-N 3.36Å; Q200-A204 WeakPolarHBondContact O-CB 3.3Å; Q200-A204 PolarHBondContact O-N 2.87Å |
| 201 | R | 87.4 | Confident | 88.8 | Confident | 135 Ų | 135 | 100.5 Ų | 100.5 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.2 | -168.1 | -169.5 | 87.8 | 82.4 | 19.1 | 111.2 | E197 I198 L199 A204 E205 | E197-R201 VanDerWaalsContact O-CB 3.24Å; E197-R201 WeakPolarHBondContact O-CB 3.48Å; E197-R201 PolarHBondContact O-N 3.24Å; I198-R201 WeakPolarHBondContact O-CB 3.04Å; I198-R201 PolarHBondContact O-N 2.89Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.98Å; R201-A204 PolarHBondContact O-N 3.05Å; R201-E205 IonicContact CZ-OE1 2.85Å; R201-E205 VanDerWaalsContact CZ-OE1 3.26Å; R201-E205 IonicContact CZ-OE2 3.39Å; R201-E205 VanDerWaalsContact CZ-OE2 3.32Å; R201-E205 VanDerWaalsContact NH1-CD 3.33Å; R201-E205 IonicContact NH1-OE1 3.19Å; R201-E205 PolarHBondContact NH1-OE1 3.25Å; R201-E205 IonicContact NH1-OE2 2.77Å; R201-E205 IonicContact NH2-OE1 3.77Å; R201-E205 PolarHBondContact NH2-OE1 2.87Å; R201-E205 IonicContact NH2-OE2 3.09Å; R201-E205 PolarHBondContact NH2-OE2 3.3Å; R201-E205 WeakPolarHBondContact O-CB 3.47Å; R201-E205 WeakPolarHBondContact O-CG 3.2Å; R201-E205 PolarHBondContact O-N 3.03Å |
| 202 | E | 87 | Confident | 89.2 | Confident | 90 Ų | 90 | 103.3 Ų | 103.3 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.8 | -73.8 | 176.3 | 176.9 | 0 | 0 | 111.6 | I198 L199 A204 E205 N206 | I198-E202 WeakPolarHBondContact O-CG 3.33Å; I198-E202 PolarHBondContact O-N 3.16Å; L199-E202 PolarHBondContact O-N 3.44Å; E202-A204 PolarHBondContact O-N 3.22Å; E202-E205 PolarHBondContact O-N 2.87Å; E202-N206 WeakPolarHBondContact O-CB 3.33Å; E202-N206 PolarHBondContact O-N 3.39Å; E202-N206 PolarHBondContact O-ND2 3.48Å; E202-N206 VanDerWaalsContact O-ND2 3.15Å |
| 203 | E | 89.4 | Confident | 89.5 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 175.4 | -174.6 | 171.8 | -166 | 0 | 0 | 112 | L199 Q200 N206 S207 | L199-E203 WeakPolarHBondContact O-CB 3.46Å; L199-E203 PolarHBondContact O-N 3.38Å; Q200-E203 PolarHBondContact O-N 3.36Å; E203-N206 PolarHBondContact O-N 3.47Å; E203-S207 WeakPolarHBondContact O-CB 3.5Å; E203-S207 PolarHBondContact O-N 2.84Å; E203-S207 PolarHBondContact O-OG 2.87Å |
| 204 | A | 84.4 | Confident | 89.9 | Confident | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q200 R201 E202 S207 L208 | Q200-A204 WeakPolarHBondContact O-CB 3.3Å; Q200-A204 PolarHBondContact O-N 2.87Å; R201-A204 PolarHBondContact O-N 3.05Å; E202-A204 PolarHBondContact O-N 3.22Å; A204-S207 PolarHBondContact O-N 3.32Å; A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.92Å |
| 205 | E | 90.1 | Very high | 90.4 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 175.3 | -77.9 | -175.4 | 156.5 | 0 | 0 | 111.8 | R201 E202 L208 A209 | R201-E205 IonicContact CZ-OE1 2.85Å; R201-E205 VanDerWaalsContact CZ-OE1 3.26Å; R201-E205 IonicContact CZ-OE2 3.39Å; R201-E205 VanDerWaalsContact CZ-OE2 3.32Å; R201-E205 VanDerWaalsContact NH1-CD 3.33Å; R201-E205 IonicContact NH1-OE1 3.19Å; R201-E205 PolarHBondContact NH1-OE1 3.25Å; R201-E205 IonicContact NH1-OE2 2.77Å; R201-E205 IonicContact NH2-OE1 3.77Å; R201-E205 PolarHBondContact NH2-OE1 2.87Å; R201-E205 IonicContact NH2-OE2 3.09Å; R201-E205 PolarHBondContact NH2-OE2 3.3Å; R201-E205 WeakPolarHBondContact O-CB 3.47Å; R201-E205 WeakPolarHBondContact O-CG 3.2Å; R201-E205 PolarHBondContact O-N 3.03Å; E202-E205 PolarHBondContact O-N 2.87Å; E205-L208 PolarHBondContact O-N 3.31Å; E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.44Å |
| 206 | N | 88.2 | Confident | 90.9 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 175.5 | -71.8 | -27.7 | 0 | 0 | 0 | 111.5 | E202 E203 L208 A209 A210 | E202-N206 WeakPolarHBondContact O-CB 3.33Å; E202-N206 PolarHBondContact O-N 3.39Å; E202-N206 PolarHBondContact O-ND2 3.48Å; E202-N206 VanDerWaalsContact O-ND2 3.15Å; E203-N206 PolarHBondContact O-N 3.47Å; N206-L208 VanDerWaalsContact C-N 3.34Å; N206-L208 PolarHBondContact O-N 3.16Å; N206-A209 PolarHBondContact O-N 3.39Å; N206-A210 PolarHBondContact O-N 2.87Å |
| 207 | S | 91.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E203 A204 A210 F211 | E203-S207 WeakPolarHBondContact O-CB 3.5Å; E203-S207 PolarHBondContact O-N 2.84Å; E203-S207 PolarHBondContact O-OG 2.87Å; A204-S207 PolarHBondContact O-N 3.32Å; S207-A210 PolarHBondContact O-N 2.72Å; S207-F211 WeakPolarHBondContact O-CD2 3.47Å; S207-F211 WeakPolarHBondContact O-CG 3.21Å; S207-F211 PolarHBondContact O-N 2.73Å |
| 208 | L | 91.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 91.7 Ų | 91.7 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 177 | -171.6 | 153.4 | 0 | 0 | 0 | 111.8 | A204 E205 N206 F211 R212 | A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.92Å; E205-L208 PolarHBondContact O-N 3.31Å; N206-L208 VanDerWaalsContact C-N 3.34Å; N206-L208 PolarHBondContact O-N 3.16Å; L208-F211 PolarHBondContact O-N 2.72Å; L208-R212 HydrophobicContact CD2-CG 4.19Å; L208-R212 VanDerWaalsContact CD2-NE 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 2.93Å |
| 209 | A | 91.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E205 N206 R212 A213 | E205-A209 WeakPolarHBondContact O-CB 3.35Å; E205-A209 PolarHBondContact O-N 3.44Å; N206-A209 PolarHBondContact O-N 3.39Å; A209-R212 PolarHBondContact O-N 3.47Å; A209-A213 PolarHBondContact O-N 2.93Å |
| 210 | A | 93.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 90.7 Ų | 90.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N206 S207 R212 A213 D214 | N206-A210 PolarHBondContact O-N 2.87Å; S207-A210 PolarHBondContact O-N 2.72Å; A210-R212 VanDerWaalsContact C-N 3.3Å; A210-R212 PolarHBondContact O-N 3.43Å; A210-A213 WeakPolarHBondContact O-CB 3.38Å; A210-A213 PolarHBondContact O-N 3.22Å; A210-A213 VanDerWaalsContact O-N 3.1Å; A210-D214 PolarHBondContact O-N 2.83Å |
| 211 | F | 95.5 | Very high | 93.4 | Very high | 138 Ų | 138 | 88 Ų | 88 | 61% | 0.605 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -35.4 | 176.8 | -69.5 | -44.1 | 0 | 0 | 0 | 113.3 | S207 L208 D214 V215 | S207-F211 WeakPolarHBondContact O-CD2 3.47Å; S207-F211 WeakPolarHBondContact O-CG 3.21Å; S207-F211 PolarHBondContact O-N 2.73Å; L208-F211 PolarHBondContact O-N 2.72Å; F211-D214 PolarHBondContact O-N 2.94Å; F211-V215 WeakPolarHBondContact O-CB 3.32Å; F211-V215 VanDerWaalsContact O-CG2 3.26Å; F211-V215 WeakPolarHBondContact O-CG2 3.32Å; F211-V215 PolarHBondContact O-N 3.1Å |
| 212 | R | 95.3 | Very high | 94 | Very high | 165 Ų | 165 | 88.4 Ų | 88.4 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 173 | -77.4 | 178.5 | 175.4 | 158.9 | 1.9 | 111.4 | L208 A209 A210 D214 V215 D216 | L208-R212 HydrophobicContact CD2-CG 4.19Å; L208-R212 VanDerWaalsContact CD2-NE 3.32Å; L208-R212 WeakPolarHBondContact O-CG 3.42Å; L208-R212 PolarHBondContact O-N 2.93Å; A209-R212 PolarHBondContact O-N 3.47Å; A210-R212 VanDerWaalsContact C-N 3.3Å; A210-R212 PolarHBondContact O-N 3.43Å; R212-D214 VanDerWaalsContact C-N 3.31Å; R212-D214 PolarHBondContact O-N 3.48Å; R212-V215 PolarHBondContact O-N 3.32Å; R212-D216 VanDerWaalsContact O-CG 3.3Å; R212-D216 PolarHBondContact O-N 2.91Å |
| 213 | A | 95.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 87.7 Ų | 87.7 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A209 A210 D216 A217 | A209-A213 PolarHBondContact O-N 2.93Å; A210-A213 WeakPolarHBondContact O-CB 3.38Å; A210-A213 PolarHBondContact O-N 3.22Å; A210-A213 VanDerWaalsContact O-N 3.1Å; A213-D216 PolarHBondContact O-N 3.43Å; A213-A217 WeakPolarHBondContact O-CB 3.34Å; A213-A217 PolarHBondContact O-N 3.44Å |
| 214 | D | 97.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 85.5 Ų | 85.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176 | -70.6 | -19.8 | 0 | 0 | 0 | 112.1 | A210 F211 R212 A217 A218 | A210-D214 PolarHBondContact O-N 2.83Å; F211-D214 PolarHBondContact O-N 2.94Å; R212-D214 VanDerWaalsContact C-N 3.31Å; R212-D214 PolarHBondContact O-N 3.48Å; D214-A217 PolarHBondContact O-N 2.81Å; D214-A218 WeakPolarHBondContact O-CB 3.47Å; D214-A218 PolarHBondContact O-N 3.23Å |
| 215 | V | 98.3 | Very high | 95.5 | Very high | 87 Ų | 87 | 88.4 Ų | 88.4 | 53% | 0.527 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | F211 R212 A217 A218 T219 | F211-V215 WeakPolarHBondContact O-CB 3.32Å; F211-V215 VanDerWaalsContact O-CG2 3.26Å; F211-V215 WeakPolarHBondContact O-CG2 3.32Å; F211-V215 PolarHBondContact O-N 3.1Å; R212-V215 PolarHBondContact O-N 3.32Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 3.42Å; V215-A218 PolarHBondContact O-N 3.37Å; V215-T219 HydrophobicContact CG1-CG2 4.29Å; V215-T219 VanDerWaalsContact O-CG2 3.26Å; V215-T219 WeakPolarHBondContact O-CG2 3.44Å; V215-T219 PolarHBondContact O-N 2.93Å; V215-T219 PolarHBondContact O-OG1 3.42Å |
| 216 | D | 97.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 87 Ų | 87 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.7 | -69.7 | -21 | 0 | 0 | 0 | 110.6 | R212 A213 A218 T219 L220 | R212-D216 VanDerWaalsContact O-CG 3.3Å; R212-D216 PolarHBondContact O-N 2.91Å; A213-D216 PolarHBondContact O-N 3.43Å; D216-A218 PolarHBondContact O-N 3.25Å; D216-T219 WeakPolarHBondContact CA-OG1 3.44Å; D216-T219 PolarHBondContact O-N 2.95Å; D216-T219 PolarHBondContact O-OG1 3.29Å; D216-L220 WeakPolarHBondContact O-CG 3.47Å; D216-L220 PolarHBondContact O-N 3.48Å |
| 217 | A | 97.5 | Very high | 96.4 | Very high | 57 Ų | 57 | 88 Ų | 88 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A213 D214 V215 L220 A221 | A213-A217 WeakPolarHBondContact O-CB 3.34Å; A213-A217 PolarHBondContact O-N 3.44Å; D214-A217 PolarHBondContact O-N 2.81Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 3.42Å; A217-L220 PolarHBondContact O-N 2.91Å; A217-A221 WeakPolarHBondContact O-CB 3.3Å; A217-A221 PolarHBondContact O-N 2.87Å |
| 218 | A | 97.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D214 V215 D216 A221 R222 | D214-A218 WeakPolarHBondContact O-CB 3.47Å; D214-A218 PolarHBondContact O-N 3.23Å; V215-A218 PolarHBondContact O-N 3.37Å; D216-A218 PolarHBondContact O-N 3.25Å; A218-A221 PolarHBondContact O-N 3.15Å; A218-R222 WeakPolarHBondContact O-CB 3.33Å; A218-R222 PolarHBondContact O-N 3.33Å |
| 219 | T | 98 | Very high | 97 | Very high | 60 Ų | 60 | 93.2 Ų | 93.2 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.2 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | V215 D216 R222 L223 | V215-T219 HydrophobicContact CG1-CG2 4.29Å; V215-T219 VanDerWaalsContact O-CG2 3.26Å; V215-T219 WeakPolarHBondContact O-CG2 3.44Å; V215-T219 PolarHBondContact O-N 2.93Å; V215-T219 PolarHBondContact O-OG1 3.42Å; D216-T219 WeakPolarHBondContact CA-OG1 3.44Å; D216-T219 PolarHBondContact O-N 2.95Å; D216-T219 PolarHBondContact O-OG1 3.29Å; T219-R222 PolarHBondContact O-N 2.95Å; T219-L223 WeakPolarHBondContact O-CG 3.42Å; T219-L223 PolarHBondContact O-N 2.94Å |
| 220 | L | 97.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 173.9 | -70.9 | 175.6 | 0 | 0 | 0 | 111.3 | D216 A217 R222 L223 D224 | D216-L220 WeakPolarHBondContact O-CG 3.47Å; D216-L220 PolarHBondContact O-N 3.48Å; A217-L220 PolarHBondContact O-N 2.91Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 3.3Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L220-D224 PolarHBondContact O-N 3.25Å |
| 221 | A | 98 | Very high | 97.5 | Very high | 52 Ų | 52 | 96.5 Ų | 96.5 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A217 A218 D224 L225 | A217-A221 WeakPolarHBondContact O-CB 3.3Å; A217-A221 PolarHBondContact O-N 2.87Å; A218-A221 PolarHBondContact O-N 3.15Å; A221-D224 PolarHBondContact O-N 3.04Å; A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.45Å |
| 222 | R | 98.3 | Very high | 97.6 | Very high | 143 Ų | 143 | 93.3 Ų | 93.3 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 173.7 | -177.4 | -169.2 | 141.3 | -132.3 | -16.4 | 111.4 | A218 T219 L220 D224 L225 E226 | A218-R222 WeakPolarHBondContact O-CB 3.33Å; A218-R222 PolarHBondContact O-N 3.33Å; T219-R222 PolarHBondContact O-N 2.95Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.39Å; R222-D224 VanDerWaalsContact C-N 3.3Å; R222-D224 PolarHBondContact O-N 2.93Å; R222-L225 PolarHBondContact O-N 2.86Å; R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 IonicContact CZ-OE1 2.62Å; R222-E226 IonicContact CZ-OE2 3.52Å; R222-E226 IonicContact NE-OE1 3.93Å; R222-E226 PolarHBondContact NE-OE1 3.35Å; R222-E226 IonicContact NE-OE2 2.66Å; R222-E226 IonicContact NH2-OE1 3.38Å; R222-E226 PolarHBondContact NH2-OE1 2.78Å; R222-E226 IonicContact NH2-OE2 2.76Å; R222-E226 PolarHBondContact NH2-OE2 3Å; R222-E226 WeakPolarHBondContact O-CG 3.46Å; R222-E226 PolarHBondContact O-N 2.95Å |
| 223 | L | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 91.3 Ų | 91.3 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 179.3 | -74 | 171.8 | 0 | 0 | 0 | 112.7 | T219 L220 R227 | T219-L223 WeakPolarHBondContact O-CG 3.42Å; T219-L223 PolarHBondContact O-N 2.94Å; L220-L223 PolarHBondContact O-N 3.3Å; L220-L223 VanDerWaalsContact O-N 3.16Å; L223-R227 WeakPolarHBondContact O-CB 3.26Å; L223-R227 WeakPolarHBondContact O-CG 3.47Å; L223-R227 PolarHBondContact O-N 2.88Å; L223-R227 PolarHBondContact O-NE 2.96Å |
| 224 | D | 97.8 | Very high | 97.8 | Very high | 89 Ų | 89 | 95 Ų | 95 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 174.8 | -74.2 | -17.2 | 0 | 0 | 0 | 111.3 | L220 A221 R222 R227 R228 | L220-D224 PolarHBondContact O-N 3.25Å; A221-D224 PolarHBondContact O-N 3.04Å; R222-D224 VanDerWaalsContact C-N 3.3Å; R222-D224 PolarHBondContact O-N 2.93Å; D224-R227 PolarHBondContact O-N 2.87Å; D224-R227 IonicContact OD1-CZ 3.23Å; D224-R227 VanDerWaalsContact OD1-CZ 3.32Å; D224-R227 IonicContact OD1-NE 3.32Å; D224-R227 IonicContact OD1-NH1 3.41Å; D224-R227 IonicContact OD1-NH2 3.69Å; D224-R227 PolarHBondContact OD1-NH2 2.93Å; D224-R228 WeakPolarHBondContact O-CB 3.01Å; D224-R228 PolarHBondContact O-N 3.48Å |
| 225 | L | 97.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 173.9 | -71.3 | 173.2 | 0 | 0 | 0 | 112.1 | A221 R222 R228 I229 | A221-L225 WeakPolarHBondContact O-CG 3.46Å; A221-L225 PolarHBondContact O-N 3.45Å; R222-L225 PolarHBondContact O-N 2.86Å; L225-R228 PolarHBondContact O-N 3.38Å; L225-I229 WeakPolarHBondContact O-CG1 3.46Å; L225-I229 PolarHBondContact O-N 3.35Å |
| 226 | E | 97.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 95.3 Ų | 95.3 | 30% | 0.304 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 175.2 | -76.1 | 175.5 | 169.8 | 0 | 0 | 111.1 | R222 R228 I229 E230 | R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 IonicContact CZ-OE1 2.62Å; R222-E226 IonicContact CZ-OE2 3.52Å; R222-E226 IonicContact NE-OE1 3.93Å; R222-E226 PolarHBondContact NE-OE1 3.35Å; R222-E226 IonicContact NE-OE2 2.66Å; R222-E226 IonicContact NH2-OE1 3.38Å; R222-E226 PolarHBondContact NH2-OE1 2.78Å; R222-E226 IonicContact NH2-OE2 2.76Å; R222-E226 PolarHBondContact NH2-OE2 3Å; R222-E226 WeakPolarHBondContact O-CG 3.46Å; R222-E226 PolarHBondContact O-N 2.95Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 2.88Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.41Å; E226-I229 VanDerWaalsContact O-N 3.11Å; E226-E230 WeakPolarHBondContact O-CG 3.47Å; E226-E230 PolarHBondContact O-N 2.71Å |
| 227 | R | 98 | Very high | 97.8 | Very high | 134 Ų | 134 | 92.8 Ų | 92.8 | 51% | 0.506 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 173.4 | -78.5 | -178.9 | -84.5 | 168.1 | -4.4 | 112.4 | L223 D224 E230 T231 | L223-R227 WeakPolarHBondContact O-CB 3.26Å; L223-R227 WeakPolarHBondContact O-CG 3.47Å; L223-R227 PolarHBondContact O-N 2.88Å; L223-R227 PolarHBondContact O-NE 2.96Å; D224-R227 PolarHBondContact O-N 2.87Å; D224-R227 IonicContact OD1-CZ 3.23Å; D224-R227 VanDerWaalsContact OD1-CZ 3.32Å; D224-R227 IonicContact OD1-NE 3.32Å; D224-R227 IonicContact OD1-NH1 3.41Å; D224-R227 IonicContact OD1-NH2 3.69Å; D224-R227 PolarHBondContact OD1-NH2 2.93Å; R227-E230 PolarHBondContact O-N 3.15Å; R227-T231 WeakPolarHBondContact O-CG2 3.27Å; R227-T231 PolarHBondContact O-N 3.49Å; R227-T231 PolarHBondContact O-OG1 3.5Å |
| 228 | R | 98 | Very high | 97.8 | Very high | 155 Ų | 155 | 96.1 Ų | 96.1 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | 175.9 | -170.5 | 59.4 | 178 | 177 | 5.9 | 111.9 | D224 L225 E226 T231 L232 | D224-R228 WeakPolarHBondContact O-CB 3.01Å; D224-R228 PolarHBondContact O-N 3.48Å; L225-R228 PolarHBondContact O-N 3.38Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 2.88Å; R228-T231 WeakPolarHBondContact CA-OG1 3.41Å; R228-T231 PolarHBondContact O-OG1 2.86Å; R228-L232 HydrophobicContact CG-CD1 4.23Å; R228-L232 WeakPolarHBondContact O-CB 3.42Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.49Å; R228-L232 PolarHBondContact O-N 3.32Å |
| 229 | I | 98.1 | Very high | 97.8 | Very high | 94 Ų | 94 | 97.4 Ų | 97.4 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.3 | -70.5 | 165.9 | 0 | 0 | 0 | 110.2 | L225 E226 L232 Q233 | L225-I229 WeakPolarHBondContact O-CG1 3.46Å; L225-I229 PolarHBondContact O-N 3.35Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.41Å; E226-I229 VanDerWaalsContact O-N 3.11Å; I229-L232 PolarHBondContact O-N 3.43Å; I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CB 3.36Å; I229-Q233 VanDerWaalsContact O-CG 3.3Å; I229-Q233 WeakPolarHBondContact O-CG 3.27Å; I229-Q233 PolarHBondContact O-N 3.47Å |
| 230 | E | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 178.1 | -73 | 173.1 | 176.9 | 0 | 0 | 111.4 | E226 R227 L232 Q233 E234 | E226-E230 WeakPolarHBondContact O-CG 3.47Å; E226-E230 PolarHBondContact O-N 2.71Å; R227-E230 PolarHBondContact O-N 3.15Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.91Å; E230-Q233 WeakPolarHBondContact O-CB 3.5Å; E230-Q233 PolarHBondContact O-N 3.47Å; E230-Q233 VanDerWaalsContact O-N 3.08Å; E230-E234 WeakPolarHBondContact O-CG 3.44Å; E230-E234 PolarHBondContact O-N 2.88Å |
| 231 | T | 97.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 103.9 Ų | 103.9 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177.6 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | R227 R228 E234 E235 | R227-T231 WeakPolarHBondContact O-CG2 3.27Å; R227-T231 PolarHBondContact O-N 3.49Å; R227-T231 PolarHBondContact O-OG1 3.5Å; R228-T231 WeakPolarHBondContact CA-OG1 3.41Å; R228-T231 PolarHBondContact O-OG1 2.86Å; T231-E234 PolarHBondContact O-N 3.22Å; T231-E235 WeakPolarHBondContact O-CB 3.41Å; T231-E235 PolarHBondContact O-N 3.25Å |
| 232 | L | 97.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 103.7 Ų | 103.7 | 38% | 0.377 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 174.6 | -72.3 | 171.2 | 0 | 0 | 0 | 112.3 | R228 I229 E230 E235 I236 | R228-L232 HydrophobicContact CG-CD1 4.23Å; R228-L232 WeakPolarHBondContact O-CB 3.42Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.49Å; R228-L232 PolarHBondContact O-N 3.32Å; I229-L232 PolarHBondContact O-N 3.43Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 2.91Å; L232-E235 PolarHBondContact O-N 2.89Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.38Å |
| 233 | Q | 97.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 174.7 | -75.3 | 176.2 | -5.6 | 0 | 0 | 111.6 | I229 E230 E235 I236 A237 | I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CB 3.36Å; I229-Q233 VanDerWaalsContact O-CG 3.3Å; I229-Q233 WeakPolarHBondContact O-CG 3.27Å; I229-Q233 PolarHBondContact O-N 3.47Å; E230-Q233 WeakPolarHBondContact O-CB 3.5Å; E230-Q233 PolarHBondContact O-N 3.47Å; E230-Q233 VanDerWaalsContact O-N 3.08Å; Q233-E235 VanDerWaalsContact C-N 3.35Å; Q233-I236 PolarHBondContact O-N 2.62Å; Q233-A237 WeakPolarHBondContact O-CB 3.39Å; Q233-A237 PolarHBondContact O-N 3.35Å |
| 234 | E | 97.5 | Very high | 97.4 | Very high | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 173 | -71.6 | 177.9 | 171.7 | 0 | 0 | 111.3 | E230 T231 A237 F238 | E230-E234 WeakPolarHBondContact O-CG 3.44Å; E230-E234 PolarHBondContact O-N 2.88Å; T231-E234 PolarHBondContact O-N 3.22Å; E234-A237 PolarHBondContact O-N 2.85Å; E234-F238 VanDerWaalsContact O-CB 3.31Å; E234-F238 WeakPolarHBondContact O-CB 3.2Å; E234-F238 PolarHBondContact O-N 3.42Å |
| 235 | E | 97.5 | Very high | 97.2 | Very high | 106 Ų | 106 | 104.6 Ų | 104.6 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.8 | -173.2 | 174.6 | -174.3 | 0 | 0 | 111.8 | T231 L232 Q233 A237 F238 L239 | T231-E235 WeakPolarHBondContact O-CB 3.41Å; T231-E235 PolarHBondContact O-N 3.25Å; L232-E235 PolarHBondContact O-N 2.89Å; Q233-E235 VanDerWaalsContact C-N 3.35Å; E235-A237 PolarHBondContact O-N 2.95Å; E235-F238 PolarHBondContact O-N 2.76Å; E235-L239 HydrophobicContact CG-CD1 4.33Å; E235-L239 WeakPolarHBondContact O-CB 3.37Å; E235-L239 WeakPolarHBondContact O-CG 3.35Å; E235-L239 PolarHBondContact O-N 2.81Å |
| 236 | I | 97 | Very high | 97 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.5 | -70.6 | 165.4 | 0 | 0 | 0 | 111 | L232 Q233 F238 L239 K240 | L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.38Å; Q233-I236 PolarHBondContact O-N 2.62Å; I236-F238 VanDerWaalsContact C-N 3.33Å; I236-L239 PolarHBondContact O-N 3.31Å; I236-K240 HydrophobicContact CG2-CD 4.19Å; I236-K240 WeakPolarHBondContact O-CB 3.42Å; I236-K240 VanDerWaalsContact O-CG 3.32Å; I236-K240 WeakPolarHBondContact O-CG 3.34Å; I236-K240 PolarHBondContact O-N 3.39Å |
| 237 | A | 97.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 104.5 Ų | 104.5 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q233 E234 E235 K240 R241 | Q233-A237 WeakPolarHBondContact O-CB 3.39Å; Q233-A237 PolarHBondContact O-N 3.35Å; E234-A237 PolarHBondContact O-N 2.85Å; E235-A237 PolarHBondContact O-N 2.95Å; A237-K240 PolarHBondContact O-N 2.86Å; A237-R241 PolarHBondContact O-N 3.48Å |
| 238 | F | 97.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -50.3 | 174.3 | 175.6 | -105.5 | 0 | 0 | 0 | 111.7 | E234 E235 I236 K240 R241 I242 | E234-F238 VanDerWaalsContact O-CB 3.31Å; E234-F238 WeakPolarHBondContact O-CB 3.2Å; E234-F238 PolarHBondContact O-N 3.42Å; E235-F238 PolarHBondContact O-N 2.76Å; I236-F238 VanDerWaalsContact C-N 3.33Å; F238-K240 VanDerWaalsContact C-N 3.3Å; F238-K240 PolarHBondContact O-N 3.38Å; F238-R241 PolarHBondContact O-N 3.48Å; F238-R241 VanDerWaalsContact O-N 3.16Å; F238-I242 HydrophobicContact CD1-CD1 3.94Å; F238-I242 HydrophobicContact CD2-CD1 4.43Å; F238-I242 HydrophobicContact CE1-CD1 3.31Å; F238-I242 HydrophobicContact CE1-CG1 4.42Å; F238-I242 HydrophobicContact CE2-CD1 3.88Å; F238-I242 HydrophobicContact CE2-CG1 4.38Å; F238-I242 HydrophobicContact CG-CD1 4.47Å; F238-I242 HydrophobicContact CZ-CD1 3.3Å; F238-I242 HydrophobicContact CZ-CG1 4.26Å; F238-I242 PolarHBondContact O-N 3.18Å |
| 239 | L | 97.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 177 | -72.5 | 171.7 | 0 | 0 | 0 | 112.2 | E235 I236 I242 H243 | E235-L239 HydrophobicContact CG-CD1 4.33Å; E235-L239 WeakPolarHBondContact O-CB 3.37Å; E235-L239 WeakPolarHBondContact O-CG 3.35Å; E235-L239 PolarHBondContact O-N 2.81Å; I236-L239 PolarHBondContact O-N 3.31Å; L239-I242 PolarHBondContact O-N 3.01Å; L239-H243 WeakPolarHBondContact O-CB 3.4Å; L239-H243 PolarHBondContact O-N 2.93Å |
| 240 | K | 96.9 | Very high | 95.7 | Very high | 129 Ų | 129 | 102.6 Ų | 102.6 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 174.2 | -77.5 | 178.5 | 178.5 | -178 | 0 | 112.2 | I236 A237 F238 I242 H243 E244 | I236-K240 HydrophobicContact CG2-CD 4.19Å; I236-K240 WeakPolarHBondContact O-CB 3.42Å; I236-K240 VanDerWaalsContact O-CG 3.32Å; I236-K240 WeakPolarHBondContact O-CG 3.34Å; I236-K240 PolarHBondContact O-N 3.39Å; A237-K240 PolarHBondContact O-N 2.86Å; F238-K240 VanDerWaalsContact C-N 3.3Å; F238-K240 PolarHBondContact O-N 3.38Å; K240-I242 VanDerWaalsContact C-N 3.35Å; K240-H243 PolarHBondContact O-N 3.41Å; K240-E244 WeakPolarHBondContact O-CB 3.38Å; K240-E244 WeakPolarHBondContact O-CG 3.35Å; K240-E244 PolarHBondContact O-N 3.29Å |
| 241 | R | 97.1 | Very high | 95.1 | Very high | 171 Ų | 171 | 102.4 Ų | 102.4 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 175.5 | -83.4 | -173.1 | -180 | 134.6 | -0.2 | 111.5 | A237 F238 E244 E245 | A237-R241 PolarHBondContact O-N 3.48Å; F238-R241 PolarHBondContact O-N 3.48Å; F238-R241 VanDerWaalsContact O-N 3.16Å; R241-E244 PolarHBondContact O-N 3.45Å; R241-E245 WeakPolarHBondContact O-CB 3.17Å; R241-E245 WeakPolarHBondContact O-CG 3.26Å; R241-E245 PolarHBondContact O-N 3.45Å |
| 242 | I | 97.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 103.6 Ų | 103.6 | 25% | 0.246 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 176.1 | -72.3 | -179.6 | 0 | 0 | 0 | 110.7 | F238 L239 K240 E244 E245 E246 | F238-I242 HydrophobicContact CD1-CD1 3.94Å; F238-I242 HydrophobicContact CD2-CD1 4.43Å; F238-I242 HydrophobicContact CE1-CD1 3.31Å; F238-I242 HydrophobicContact CE1-CG1 4.42Å; F238-I242 HydrophobicContact CE2-CD1 3.88Å; F238-I242 HydrophobicContact CE2-CG1 4.38Å; F238-I242 HydrophobicContact CG-CD1 4.47Å; F238-I242 HydrophobicContact CZ-CD1 3.3Å; F238-I242 HydrophobicContact CZ-CG1 4.26Å; F238-I242 PolarHBondContact O-N 3.18Å; L239-I242 PolarHBondContact O-N 3.01Å; K240-I242 VanDerWaalsContact C-N 3.35Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 2.82Å; I242-E245 CarbonylContact O-C 3.42Å; I242-E245 WeakPolarHBondContact O-CB 3.27Å; I242-E245 PolarHBondContact O-N 3.28Å; I242-E245 VanDerWaalsContact O-N 3.13Å; I242-E246 HydrophobicContact CG2-CG 4.17Å; I242-E246 WeakPolarHBondContact O-CB 3.46Å; I242-E246 WeakPolarHBondContact O-CG 3.46Å; I242-E246 PolarHBondContact O-N 3.02Å |
| 243 | H | 95.3 | Very high | 93.9 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.7 | -97.1 | 59.2 | 0 | 0 | 0 | 112.4 | L239 K240 E245 E246 I247 | L239-H243 WeakPolarHBondContact O-CB 3.4Å; L239-H243 PolarHBondContact O-N 2.93Å; K240-H243 PolarHBondContact O-N 3.41Å; H243-E245 VanDerWaalsContact C-N 3.32Å; H243-E246 IonicContact ND1-OE2 2.71Å; H243-E246 PolarHBondContact O-N 2.9Å; H243-I247 WeakPolarHBondContact O-CB 3.31Å; H243-I247 WeakPolarHBondContact O-CD1 3.39Å; H243-I247 WeakPolarHBondContact O-CG1 3.5Å; H243-I247 PolarHBondContact O-N 3.45Å |
| 244 | E | 95.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 105.3 Ų | 105.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 175.5 | -77.2 | 178.5 | -165.8 | 0 | 0 | 112.4 | K240 R241 I242 R248 | K240-E244 WeakPolarHBondContact O-CB 3.38Å; K240-E244 WeakPolarHBondContact O-CG 3.35Å; K240-E244 PolarHBondContact O-N 3.29Å; R241-E244 PolarHBondContact O-N 3.45Å; I242-E244 VanDerWaalsContact C-N 3.32Å; I242-E244 PolarHBondContact O-N 2.82Å; E244-R248 WeakPolarHBondContact O-CB 3.46Å; E244-R248 PolarHBondContact O-N 3.31Å; E244-R248 IonicContact OE2-NH2 2.78Å |
| 245 | E | 94.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 104.5 Ų | 104.5 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | 174.3 | -76 | 171.2 | -174.4 | 0 | 0 | 111.5 | R241 I242 H243 I247 R248 E249 | R241-E245 WeakPolarHBondContact O-CB 3.17Å; R241-E245 WeakPolarHBondContact O-CG 3.26Å; R241-E245 PolarHBondContact O-N 3.45Å; I242-E245 CarbonylContact O-C 3.42Å; I242-E245 WeakPolarHBondContact O-CB 3.27Å; I242-E245 PolarHBondContact O-N 3.28Å; I242-E245 VanDerWaalsContact O-N 3.13Å; H243-E245 VanDerWaalsContact C-N 3.32Å; E245-I247 PolarHBondContact O-N 2.9Å; E245-R248 CarbonylContact O-C 3.56Å; E245-R248 WeakPolarHBondContact O-CA 3.42Å; E245-R248 WeakPolarHBondContact O-CB 3.36Å; E245-R248 PolarHBondContact O-N 3.37Å; E245-R248 VanDerWaalsContact O-N 3.12Å; E245-E249 PolarHBondContact O-N 2.87Å |
| 246 | E | 92.9 | Very high | 90.1 | Very high | 93 Ų | 93 | 105.6 Ų | 105.6 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.9 | -73.2 | 175.4 | 169.1 | 0 | 0 | 111.6 | I242 H243 R248 E249 L250 | I242-E246 HydrophobicContact CG2-CG 4.17Å; I242-E246 WeakPolarHBondContact O-CB 3.46Å; I242-E246 WeakPolarHBondContact O-CG 3.46Å; I242-E246 PolarHBondContact O-N 3.02Å; H243-E246 IonicContact ND1-OE2 2.71Å; H243-E246 PolarHBondContact O-N 2.9Å; E246-R248 VanDerWaalsContact C-N 3.35Å; E246-E249 PolarHBondContact O-N 2.92Å; E246-L250 WeakPolarHBondContact O-CB 3.41Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 3.26Å |
| 247 | I | 93.1 | Very high | 88 | Confident | 88 Ų | 88 | 106.1 Ų | 106.1 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 174.4 | -70 | 167.5 | 0 | 0 | 0 | 110.2 | H243 E245 L250 Q251 | H243-I247 WeakPolarHBondContact O-CB 3.31Å; H243-I247 WeakPolarHBondContact O-CD1 3.39Å; H243-I247 WeakPolarHBondContact O-CG1 3.5Å; H243-I247 PolarHBondContact O-N 3.45Å; E245-I247 PolarHBondContact O-N 2.9Å; I247-L250 PolarHBondContact O-N 3.48Å; I247-Q251 HydrophobicContact CG2-CG 4.24Å; I247-Q251 VanDerWaalsContact O-CB 3.29Å; I247-Q251 WeakPolarHBondContact O-CB 3.49Å; I247-Q251 VanDerWaalsContact O-CG 3.23Å; I247-Q251 WeakPolarHBondContact O-CG 3.36Å; I247-Q251 PolarHBondContact O-N 2.91Å |
| 248 | R | 93.3 | Very high | 85.6 | Confident | 120 Ų | 120 | 111.5 Ų | 111.5 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.6 | -108.5 | 179.8 | -94.8 | 127.1 | -3.1 | 111.4 | E244 E245 E246 Q251 N252 | E244-R248 WeakPolarHBondContact O-CB 3.46Å; E244-R248 PolarHBondContact O-N 3.31Å; E244-R248 IonicContact OE2-NH2 2.78Å; E245-R248 CarbonylContact O-C 3.56Å; E245-R248 WeakPolarHBondContact O-CA 3.42Å; E245-R248 WeakPolarHBondContact O-CB 3.36Å; E245-R248 PolarHBondContact O-N 3.37Å; E245-R248 VanDerWaalsContact O-N 3.12Å; E246-R248 VanDerWaalsContact C-N 3.35Å; R248-Q251 PolarHBondContact O-N 2.9Å; R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.33Å; R248-N252 PolarHBondContact O-N 3.42Å; R248-N252 PolarHBondContact O-ND2 3.46Å |
| 249 | E | 91.3 | Very high | 83.1 | Confident | 121 Ų | 121 | 110.7 Ų | 110.7 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.6 | -78.7 | -172.9 | 170 | 0 | 0 | 111.6 | E245 E246 N252 Q253 | E245-E249 PolarHBondContact O-N 2.87Å; E246-E249 PolarHBondContact O-N 2.92Å; E249-N252 CarbonylContact O-C 3.26Å; E249-N252 PolarHBondContact O-N 2.91Å; E249-Q253 WeakPolarHBondContact O-CB 3.48Å; E249-Q253 VanDerWaalsContact O-CG 3.28Å; E249-Q253 WeakPolarHBondContact O-CG 3.5Å; E249-Q253 PolarHBondContact O-N 3.2Å |
| 250 | L | 87.9 | Confident | 80.2 | Confident | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.8 | -72.3 | 171.6 | 0 | 0 | 0 | 112 | E246 I247 N252 Q253 M254 | E246-L250 WeakPolarHBondContact O-CB 3.41Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.46Å; E246-L250 PolarHBondContact O-N 3.26Å; I247-L250 PolarHBondContact O-N 3.48Å; L250-N252 VanDerWaalsContact C-N 3.34Å; L250-Q253 PolarHBondContact O-N 3.5Å; L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 VanDerWaalsContact O-CG 3.29Å; L250-M254 WeakPolarHBondContact O-CG 3.43Å; L250-M254 PolarHBondContact O-N 2.88Å |
| 251 | Q | 85.4 | Confident | 77.6 | Confident | 105 Ų | 105 | 113.4 Ų | 113.4 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 173.3 | -78 | 177.5 | -4.6 | 0 | 0 | 111.4 | I247 R248 M254 Q255 | I247-Q251 HydrophobicContact CG2-CG 4.24Å; I247-Q251 VanDerWaalsContact O-CB 3.29Å; I247-Q251 WeakPolarHBondContact O-CB 3.49Å; I247-Q251 VanDerWaalsContact O-CG 3.23Å; I247-Q251 WeakPolarHBondContact O-CG 3.36Å; I247-Q251 PolarHBondContact O-N 2.91Å; R248-Q251 PolarHBondContact O-N 2.9Å; Q251-M254 PolarHBondContact O-N 3.14Å; Q251-Q255 WeakPolarHBondContact O-CB 3.22Å; Q251-Q255 WeakPolarHBondContact O-CG 3.24Å; Q251-Q255 PolarHBondContact O-N 3.48Å |
| 252 | N | 86.6 | Confident | 74.9 | Confident | 88 Ų | 88 | 114.1 Ų | 114.1 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -45.1 | 174.1 | -72.9 | -16.1 | 0 | 0 | 0 | 110.5 | R248 E249 L250 M254 Q255 E256 | R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.33Å; R248-N252 PolarHBondContact O-N 3.42Å; R248-N252 PolarHBondContact O-ND2 3.46Å; E249-N252 CarbonylContact O-C 3.26Å; E249-N252 PolarHBondContact O-N 2.91Å; L250-N252 VanDerWaalsContact C-N 3.34Å; N252-M254 VanDerWaalsContact C-N 3.3Å; N252-M254 PolarHBondContact O-N 3.28Å; N252-Q255 CarbonylContact O-C 3.57Å; N252-Q255 PolarHBondContact O-N 3.02Å; N252-E256 WeakPolarHBondContact O-CB 3.48Å; N252-E256 PolarHBondContact O-N 3.38Å |
| 253 | Q | 81.9 | Confident | 72.1 | Confident | 104 Ų | 104 | 120.6 Ų | 120.6 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -36.5 | 175 | -73.8 | 173.7 | 15.8 | 0 | 0 | 112 | E249 L250 T257 | E249-Q253 WeakPolarHBondContact O-CB 3.48Å; E249-Q253 VanDerWaalsContact O-CG 3.28Å; E249-Q253 WeakPolarHBondContact O-CG 3.5Å; E249-Q253 PolarHBondContact O-N 3.2Å; L250-Q253 PolarHBondContact O-N 3.5Å; Q253-T257 WeakPolarHBondContact O-CB 3.4Å; Q253-T257 WeakPolarHBondContact O-CG2 3.32Å; Q253-T257 PolarHBondContact O-N 3.48Å; Q253-T257 PolarHBondContact O-OG1 3.45Å |
| 254 | M | 74.2 | Confident | 69.2 | Low | 126 Ų | 126 | 123 Ų | 123 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69 | -42.8 | 173.6 | -77 | -174.7 | 66.5 | 0 | 0 | 112.2 | L250 Q251 N252 T257 Q258 | L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 VanDerWaalsContact O-CG 3.29Å; L250-M254 WeakPolarHBondContact O-CG 3.43Å; L250-M254 PolarHBondContact O-N 2.88Å; Q251-M254 PolarHBondContact O-N 3.14Å; N252-M254 VanDerWaalsContact C-N 3.3Å; N252-M254 PolarHBondContact O-N 3.28Å; M254-T257 VanDerWaalsContact CA-OG1 3.27Å; M254-T257 WeakPolarHBondContact CA-OG1 3.46Å; M254-T257 PolarHBondContact O-N 2.91Å; M254-T257 PolarHBondContact O-OG1 3.48Å; M254-T257 VanDerWaalsContact O-OG1 3.08Å; M254-Q258 WeakPolarHBondContact O-CB 3.3Å; M254-Q258 PolarHBondContact O-N 2.95Å |
| 255 | Q | 72.7 | Confident | 66.3 | Low | 117 Ų | 117 | 126.7 Ų | 126.7 | 55% | 0.547 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.3 | -39.7 | 173.9 | -76.9 | -178.2 | 8.4 | 0 | 0 | 111 | Q251 N252 Q258 V259 | Q251-Q255 WeakPolarHBondContact O-CB 3.22Å; Q251-Q255 WeakPolarHBondContact O-CG 3.24Å; Q251-Q255 PolarHBondContact O-N 3.48Å; N252-Q255 CarbonylContact O-C 3.57Å; N252-Q255 PolarHBondContact O-N 3.02Å; Q255-Q258 CarbonylContact O-C 3.59Å; Q255-Q258 PolarHBondContact O-N 2.93Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; Q255-V259 WeakPolarHBondContact O-CA 3.46Å; Q255-V259 WeakPolarHBondContact O-CB 3.33Å; Q255-V259 WeakPolarHBondContact O-CG2 3.08Å; Q255-V259 PolarHBondContact O-N 3.35Å |
| 256 | E | 66.4 | Low | 64 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 177.5 | -159.9 | 167 | -145.3 | 0 | 0 | 110.1 | N252 Q258 V259 Q260 | N252-E256 WeakPolarHBondContact O-CB 3.48Å; N252-E256 PolarHBondContact O-N 3.38Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 2.86Å; E256-V259 PolarHBondContact O-N 3.17Å; E256-Q260 WeakPolarHBondContact O-CB 3.49Å; E256-Q260 PolarHBondContact O-N 2.94Å |
| 257 | T | 53.4 | Low | 62.2 | Low | 101 Ų | 101 | 132.5 Ų | 132.5 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.8 | -23.1 | 170.1 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | Q253 M254 | Q253-T257 WeakPolarHBondContact O-CB 3.4Å; Q253-T257 WeakPolarHBondContact O-CG2 3.32Å; Q253-T257 PolarHBondContact O-N 3.48Å; Q253-T257 PolarHBondContact O-OG1 3.45Å; M254-T257 VanDerWaalsContact CA-OG1 3.27Å; M254-T257 WeakPolarHBondContact CA-OG1 3.46Å; M254-T257 PolarHBondContact O-N 2.91Å; M254-T257 PolarHBondContact O-OG1 3.48Å; M254-T257 VanDerWaalsContact O-OG1 3.08Å |
| 258 | Q | 46 | Very low | 60.7 | Low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -89.4 | -16.4 | 174.8 | -159.2 | 170.1 | 14.3 | 0 | 0 | 113.4 | M254 Q255 E256 | M254-Q258 WeakPolarHBondContact O-CB 3.3Å; M254-Q258 PolarHBondContact O-N 2.95Å; Q255-Q258 CarbonylContact O-C 3.59Å; Q255-Q258 PolarHBondContact O-N 2.93Å; Q255-Q258 VanDerWaalsContact O-N 3.14Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-Q258 PolarHBondContact O-N 2.86Å |
| 259 | V | 45.3 | Very low | 59.1 | Low | 110 Ų | 110 | 132 Ų | 132 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -110.5 | -9.1 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | Q255 E256 V261 | Q255-V259 WeakPolarHBondContact O-CA 3.46Å; Q255-V259 WeakPolarHBondContact O-CB 3.33Å; Q255-V259 WeakPolarHBondContact O-CG2 3.08Å; Q255-V259 PolarHBondContact O-N 3.35Å; E256-V259 PolarHBondContact O-N 3.17Å; V259-V261 PolarHBondContact O-N 2.95Å |
| 260 | Q | 37.3 | Very low | 57.8 | Low | 159 Ų | 159 | 131.9 Ų | 131.9 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -77.6 | 46.3 | 167 | -160.4 | 165 | 33.7 | 0 | 0 | 111.8 | E256 | E256-Q260 WeakPolarHBondContact O-CB 3.49Å; E256-Q260 PolarHBondContact O-N 2.94Å | ||
| 261 | V | 43.1 | Very low | 57 | Low | 115 Ų | 115 | 131 Ų | 131 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -133.5 | 102.1 | 157.7 | 179.1 | 0 | 0 | 0 | 0 | 105.6 | V259 | V259-V261 PolarHBondContact O-N 2.95Š|
| 262 | Q | 40.3 | Very low | 56.4 | Low | 186 Ų | 186 | 127.8 Ų | 127.8 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | trans | 93 | 85.7 | 179.8 | -55.9 | 175 | 5.8 | 0 | 0 | 115.6 | ||||
| 263 | M | 37.9 | Very low | 55.9 | Low | 184 Ų | 184 | 125.6 Ų | 125.6 | 91% | 0.906 | 66% | 0.663 | S | S | * | * | trans | -118.1 | 106.1 | 150.9 | -159.3 | 174.2 | -175.1 | 0 | 0 | 108.2 | ||||
| 264 | D | 34.9 | Very low | 55.8 | Low | 164 Ų | 164 | 125.5 Ų | 125.5 | 88% | 0.877 | 67% | 0.665 | S | S | * | * | trans | -71 | 124 | 176.3 | -116.8 | -22.6 | 0 | 0 | 0 | 109.7 | S266 | D264-S266 PolarHBondContact O-N 3.31Š| ||
| 265 | M | 33.8 | Very low | 56.3 | Low | 186 Ų | 186 | 126.5 Ų | 126.5 | 92% | 0.916 | 66% | 0.662 | S | S | * | * | trans | -81.2 | 97 | -174.1 | -68.9 | -82 | -84.3 | 0 | 0 | 110.1 | ||||
| 266 | S | 47.1 | Very low | 56.9 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | -97.1 | 119.7 | 157.2 | 56 | 0 | 0 | 0 | 0 | 108.2 | D264 P268 | D264-S266 PolarHBondContact O-N 3.31Å; S266-P268 WeakPolarHBondContact O-CD 3.46Å | ||
| 267 | K | 54.9 | Low | 57.9 | Low | 211 Ų | 211 | 123.7 Ų | 123.7 | 92% | 0.917 | 65% | 0.654 | S | S | * | * | trans | -48.5 | 107.2 | -178.4 | -91.5 | -179.7 | 173.1 | 175 | 0 | 110.4 | ||||
| 268 | P | 60.2 | Low | 59.5 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | trans | -75.3 | 152.6 | 162.6 | 4.1 | 16.1 | 0 | 0 | 0 | 106.7 | S266 L270 | S266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-L270 PolarHBondContact O-N 3.24Å | ||
| 269 | D | 60.2 | Low | 61.6 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | trans | -64.6 | 90.4 | 169.5 | -179.3 | 13.1 | 0 | 0 | 0 | 108.8 | T271 A272 A273 | D269-T271 PolarHBondContact O-N 2.61Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.39Å; D269-T271 PolarHBondContact OD1-N 3.44Å; D269-T271 PolarHBondContact OD1-OG1 3.03Å; D269-T271 VanDerWaalsContact OD1-OG1 3.06Å; D269-A272 HydrophobicContact CB-CB 4.19Å; D269-A272 PolarHBondContact O-N 3.42Å; D269-A273 PolarHBondContact O-N 3.29Å; D269-A273 VanDerWaalsContact O-N 3.1Å | ||
| 270 | L | 64.8 | Low | 63.7 | Low | 118 Ų | 118 | 122 Ų | 122 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.3 | -29.3 | -177.2 | -167.4 | 75.5 | 0 | 0 | 0 | 110.7 | P268 L274 | P268-L270 PolarHBondContact O-N 3.24Å; L270-L274 HydrophobicContact CD2-CD1 4.22Å; L270-L274 HydrophobicContact CG-CD1 3.82Å; L270-L274 HydrophobicContact CG-CG 4.26Å; L270-L274 WeakPolarHBondContact O-CB 3.34Å; L270-L274 WeakPolarHBondContact O-CD1 3.4Å; L270-L274 WeakPolarHBondContact O-CG 3.22Å; L270-L274 PolarHBondContact O-N 2.95Å |
| 271 | T | 70.6 | Confident | 66.3 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.8 | -37.2 | 177.6 | -31.8 | 0 | 0 | 0 | 0 | 112.2 | D269 R275 | D269-T271 PolarHBondContact O-N 2.61Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.39Å; D269-T271 PolarHBondContact OD1-N 3.44Å; D269-T271 PolarHBondContact OD1-OG1 3.03Å; D269-T271 VanDerWaalsContact OD1-OG1 3.06Å; T271-R275 WeakPolarHBondContact O-CB 3.38Å; T271-R275 PolarHBondContact O-N 2.93Å; T271-R275 PolarHBondContact O-NE 3.31Å |
| 272 | A | 71.9 | Confident | 68.5 | Low | 37 Ų | 37 | 122.2 Ų | 122.2 | 31% | 0.306 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.3 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D269 R275 D276 | D269-A272 HydrophobicContact CB-CB 4.19Å; D269-A272 PolarHBondContact O-N 3.42Å; A272-R275 WeakPolarHBondContact O-CB 3.44Å; A272-R275 PolarHBondContact O-N 2.93Å; A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 3.15Å |
| 273 | A | 77.5 | Confident | 71 | Confident | 42 Ų | 42 | 114.8 Ų | 114.8 | 35% | 0.347 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D269 R275 D276 I277 | D269-A273 PolarHBondContact O-N 3.29Å; D269-A273 VanDerWaalsContact O-N 3.1Å; A273-R275 VanDerWaalsContact C-N 3.32Å; A273-R275 PolarHBondContact O-N 3.49Å; A273-D276 PolarHBondContact O-N 3.43Å; A273-I277 WeakPolarHBondContact O-CB 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.24Å; A273-I277 WeakPolarHBondContact O-CG1 3.37Å; A273-I277 PolarHBondContact O-N 2.89Å |
| 274 | L | 80.4 | Confident | 73.6 | Confident | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -34.5 | 172.8 | -73.3 | 171.7 | 0 | 0 | 0 | 112.1 | L270 R278 | L270-L274 HydrophobicContact CD2-CD1 4.22Å; L270-L274 HydrophobicContact CG-CD1 3.82Å; L270-L274 HydrophobicContact CG-CG 4.26Å; L270-L274 WeakPolarHBondContact O-CB 3.34Å; L270-L274 WeakPolarHBondContact O-CD1 3.4Å; L270-L274 WeakPolarHBondContact O-CG 3.22Å; L270-L274 PolarHBondContact O-N 2.95Å; L274-R278 WeakPolarHBondContact O-CB 3.46Å; L274-R278 PolarHBondContact O-N 2.68Å |
| 275 | R | 84 | Confident | 76.3 | Confident | 147 Ų | 147 | 105.6 Ų | 105.6 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 171.6 | -102.1 | -176.8 | -82.3 | 108.8 | -1.3 | 111.7 | T271 A272 A273 R278 A279 | T271-R275 WeakPolarHBondContact O-CB 3.38Å; T271-R275 PolarHBondContact O-N 2.93Å; T271-R275 PolarHBondContact O-NE 3.31Å; A272-R275 WeakPolarHBondContact O-CB 3.44Å; A272-R275 PolarHBondContact O-N 2.93Å; A273-R275 VanDerWaalsContact C-N 3.32Å; A273-R275 PolarHBondContact O-N 3.49Å; R275-R278 PolarHBondContact O-N 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.45Å |
| 276 | D | 85.1 | Confident | 79.1 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.6 | -42.5 | -177.5 | -149.2 | 37.5 | 0 | 0 | 0 | 111.8 | A272 A273 R278 A279 Q280 | A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 3.15Å; A273-D276 PolarHBondContact O-N 3.43Å; D276-R278 VanDerWaalsContact C-N 3.32Å; D276-R278 PolarHBondContact O-N 3.42Å; D276-A279 PolarHBondContact O-N 3.35Å; D276-Q280 WeakPolarHBondContact O-CG 3.26Å; D276-Q280 PolarHBondContact O-N 2.89Å |
| 277 | I | 86.9 | Confident | 81.4 | Confident | 88 Ų | 88 | 101 Ų | 101 | 45% | 0.451 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 171.4 | -68.3 | 166 | 0 | 0 | 0 | 110.2 | A273 Q280 Y281 | A273-I277 WeakPolarHBondContact O-CB 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.24Å; A273-I277 WeakPolarHBondContact O-CG1 3.37Å; A273-I277 PolarHBondContact O-N 2.89Å; I277-Q280 PolarHBondContact O-N 3.36Å; I277-Y281 HydrophobicContact CG2-CD2 3.75Å; I277-Y281 HydrophobicContact CG2-CE2 3.9Å; I277-Y281 WeakPolarHBondContact O-CD2 3.43Å; I277-Y281 PolarHBondContact O-N 2.92Å |
| 278 | R | 87.5 | Confident | 83.3 | Confident | 167 Ų | 167 | 96 Ų | 96 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 176.2 | -173.6 | 177.9 | -171.2 | 145.7 | 7.2 | 111.8 | L274 R275 D276 Q280 Y281 E282 | L274-R278 WeakPolarHBondContact O-CB 3.46Å; L274-R278 PolarHBondContact O-N 2.68Å; R275-R278 PolarHBondContact O-N 3.28Å; D276-R278 VanDerWaalsContact C-N 3.32Å; D276-R278 PolarHBondContact O-N 3.42Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.91Å; R278-Y281 PolarHBondContact O-N 3.42Å; R278-E282 HydrophobicContact CG-CG 4.41Å; R278-E282 WeakPolarHBondContact CG-OE1 3.42Å; R278-E282 IonicContact NE-OE1 3.05Å; R278-E282 PolarHBondContact NE-OE1 3.4Å; R278-E282 WeakPolarHBondContact O-CB 3.47Å; R278-E282 WeakPolarHBondContact O-CG 3.29Å; R278-E282 PolarHBondContact O-N 3.03Å |
| 279 | A | 89.2 | Confident | 84.9 | Confident | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R275 D276 G283 | R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.45Å; D276-A279 PolarHBondContact O-N 3.35Å; A279-G283 PolarHBondContact O-N 2.91Å |
| 280 | Q | 89.8 | Confident | 86.6 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | 173.5 | -73.2 | -173.3 | 17.2 | 0 | 0 | 112.1 | D276 I277 R278 G283 I284 | D276-Q280 WeakPolarHBondContact O-CG 3.26Å; D276-Q280 PolarHBondContact O-N 2.89Å; I277-Q280 PolarHBondContact O-N 3.36Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.91Å; Q280-G283 PolarHBondContact O-N 3.33Å; Q280-I284 WeakPolarHBondContact O-CB 3.48Å; Q280-I284 WeakPolarHBondContact O-CD1 3.37Å; Q280-I284 WeakPolarHBondContact O-CG1 3.26Å; Q280-I284 PolarHBondContact O-N 2.92Å |
| 281 | Y | 91.3 | Very high | 88 | Confident | 167 Ų | 167 | 94.2 Ų | 94.2 | 66% | 0.655 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.6 | -93.2 | -78.5 | 0 | 0 | 0 | 112.2 | I277 R278 G283 I284 A285 | I277-Y281 HydrophobicContact CG2-CD2 3.75Å; I277-Y281 HydrophobicContact CG2-CE2 3.9Å; I277-Y281 WeakPolarHBondContact O-CD2 3.43Å; I277-Y281 PolarHBondContact O-N 2.92Å; R278-Y281 PolarHBondContact O-N 3.42Å; Y281-G283 VanDerWaalsContact C-N 3.31Å; Y281-G283 PolarHBondContact O-N 2.9Å; Y281-I284 PolarHBondContact O-N 3.14Å; Y281-A285 VanDerWaalsContact O-CB 3.23Å; Y281-A285 WeakPolarHBondContact O-CB 3.21Å; Y281-A285 PolarHBondContact O-N 3.44Å |
| 282 | E | 90.6 | Very high | 89.1 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 174.2 | -74.1 | 172.4 | -173.2 | 0 | 0 | 110.8 | R278 A286 | R278-E282 HydrophobicContact CG-CG 4.41Å; R278-E282 WeakPolarHBondContact CG-OE1 3.42Å; R278-E282 IonicContact NE-OE1 3.05Å; R278-E282 PolarHBondContact NE-OE1 3.4Å; R278-E282 WeakPolarHBondContact O-CB 3.47Å; R278-E282 WeakPolarHBondContact O-CG 3.29Å; R278-E282 PolarHBondContact O-N 3.03Å; E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 3.33Å |
| 283 | G | 93.3 | Very high | 90.2 | Very high | 31 Ų | 31 | 96.3 Ų | 96.3 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A279 Q280 Y281 K287 | A279-G283 PolarHBondContact O-N 2.91Å; Q280-G283 PolarHBondContact O-N 3.33Å; Y281-G283 VanDerWaalsContact C-N 3.31Å; Y281-G283 PolarHBondContact O-N 2.9Å; G283-K287 WeakPolarHBondContact O-CB 3.4Å; G283-K287 VanDerWaalsContact O-CG 3.26Å; G283-K287 WeakPolarHBondContact O-CG 3.46Å; G283-K287 PolarHBondContact O-N 2.94Å |
| 284 | I | 91.7 | Very high | 91.1 | Very high | 104 Ų | 104 | 100.8 Ų | 100.8 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 176.5 | -68.1 | 162.8 | 0 | 0 | 0 | 110.1 | Q280 Y281 K287 N288 | Q280-I284 WeakPolarHBondContact O-CB 3.48Å; Q280-I284 WeakPolarHBondContact O-CD1 3.37Å; Q280-I284 WeakPolarHBondContact O-CG1 3.26Å; Q280-I284 PolarHBondContact O-N 2.92Å; Y281-I284 PolarHBondContact O-N 3.14Å; I284-K287 PolarHBondContact O-N 3.32Å; I284-N288 VanDerWaalsContact O-CB 3.31Å; I284-N288 WeakPolarHBondContact O-CB 3.47Å; I284-N288 PolarHBondContact O-N 2.97Å |
| 285 | A | 91.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y281 N288 I289 | Y281-A285 VanDerWaalsContact O-CB 3.23Å; Y281-A285 WeakPolarHBondContact O-CB 3.21Å; Y281-A285 PolarHBondContact O-N 3.44Å; A285-N288 PolarHBondContact O-N 3.48Å; A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.48Å; A285-I289 PolarHBondContact O-N 2.88Å |
| 286 | A | 93.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E282 I289 A290 | E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.46Å; E282-A286 PolarHBondContact O-N 3.33Å; A286-I289 PolarHBondContact O-N 2.96Å; A286-A290 WeakPolarHBondContact O-CB 3.28Å; A286-A290 PolarHBondContact O-N 2.88Å |
| 287 | K | 94.9 | Very high | 93 | Very high | 138 Ų | 138 | 106.1 Ų | 106.1 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 173.9 | -77.3 | 176.9 | -178 | -178.7 | 0 | 112 | G283 I284 I289 A290 E291 | G283-K287 WeakPolarHBondContact O-CB 3.4Å; G283-K287 VanDerWaalsContact O-CG 3.26Å; G283-K287 WeakPolarHBondContact O-CG 3.46Å; G283-K287 PolarHBondContact O-N 2.94Å; I284-K287 PolarHBondContact O-N 3.32Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 2.84Å; K287-A290 PolarHBondContact O-N 3.11Å; K287-E291 WeakPolarHBondContact O-CB 3.49Å; K287-E291 VanDerWaalsContact O-CG 3.27Å; K287-E291 WeakPolarHBondContact O-CG 3.39Å; K287-E291 PolarHBondContact O-N 3.41Å |
| 288 | N | 94 | Very high | 93.5 | Very high | 105 Ų | 105 | 105 Ų | 105 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 179 | -172.3 | -76.8 | 0 | 0 | 0 | 111.7 | I284 A285 A292 | I284-N288 VanDerWaalsContact O-CB 3.31Å; I284-N288 WeakPolarHBondContact O-CB 3.47Å; I284-N288 PolarHBondContact O-N 2.97Å; A285-N288 PolarHBondContact O-N 3.48Å; N288-A292 VanDerWaalsContact O-CB 3.26Å; N288-A292 WeakPolarHBondContact O-CB 3.27Å; N288-A292 PolarHBondContact O-N 3.47Å |
| 289 | I | 94.5 | Very high | 93.9 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 174.9 | -67.6 | 165.8 | 0 | 0 | 0 | 110.8 | A285 A286 K287 E291 A292 E293 | A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.48Å; A285-I289 PolarHBondContact O-N 2.88Å; A286-I289 PolarHBondContact O-N 2.96Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 2.84Å; I289-E291 PolarHBondContact O-N 2.92Å; I289-A292 PolarHBondContact O-N 3.27Å; I289-E293 HydrophobicContact CG2-CG 4.48Å; I289-E293 WeakPolarHBondContact O-CG 3.33Å; I289-E293 PolarHBondContact O-N 3.18Å |
| 290 | A | 95.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A286 K287 E293 E294 | A286-A290 WeakPolarHBondContact O-CB 3.28Å; A286-A290 PolarHBondContact O-N 2.88Å; K287-A290 PolarHBondContact O-N 3.11Å; A290-E293 PolarHBondContact O-N 2.96Å; A290-E294 WeakPolarHBondContact O-CB 3.31Å; A290-E294 PolarHBondContact O-N 2.91Å |
| 291 | E | 94.9 | Very high | 94.7 | Very high | 128 Ų | 128 | 101.2 Ų | 101.2 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 175.9 | -73.9 | 170.5 | -167.8 | 0 | 0 | 111.4 | K287 I289 W295 | K287-E291 WeakPolarHBondContact O-CB 3.49Å; K287-E291 VanDerWaalsContact O-CG 3.27Å; K287-E291 WeakPolarHBondContact O-CG 3.39Å; K287-E291 PolarHBondContact O-N 3.41Å; I289-E291 PolarHBondContact O-N 2.92Å; E291-W295 WeakPolarHBondContact O-CB 3.33Å; E291-W295 PolarHBondContact O-N 2.98Å |
| 292 | A | 93.8 | Very high | 95 | Very high | 36 Ų | 36 | 97.1 Ų | 97.1 | 30% | 0.298 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N288 I289 W295 Y296 | N288-A292 VanDerWaalsContact O-CB 3.26Å; N288-A292 WeakPolarHBondContact O-CB 3.27Å; N288-A292 PolarHBondContact O-N 3.47Å; I289-A292 PolarHBondContact O-N 3.27Å; A292-W295 PolarHBondContact O-N 3.44Å; A292-Y296 HydrophobicContact CB-CE2 4.48Å; A292-Y296 WeakPolarHBondContact O-CB 3.4Å; A292-Y296 WeakPolarHBondContact O-CD2 3.45Å; A292-Y296 PolarHBondContact O-N 2.88Å |
| 293 | E | 95.3 | Very high | 95.2 | Very high | 130 Ų | 130 | 96.7 Ų | 96.7 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 176.4 | -75.5 | -179.7 | 176.2 | 0 | 0 | 112.3 | I289 A290 W295 Y296 K297 | I289-E293 HydrophobicContact CG2-CG 4.48Å; I289-E293 WeakPolarHBondContact O-CG 3.33Å; I289-E293 PolarHBondContact O-N 3.18Å; A290-E293 PolarHBondContact O-N 2.96Å; E293-W295 VanDerWaalsContact C-N 3.33Å; E293-W295 PolarHBondContact O-N 3.31Å; E293-Y296 PolarHBondContact O-N 3.19Å; E293-K297 VanDerWaalsContact O-CB 3.26Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 PolarHBondContact O-N 3.39Å |
| 294 | E | 95.6 | Very high | 95.4 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.6 | -168.4 | 98.6 | -128.1 | 0 | 0 | 110.6 | A290 K297 S298 | A290-E294 WeakPolarHBondContact O-CB 3.31Å; A290-E294 PolarHBondContact O-N 2.91Å; E294-K297 PolarHBondContact O-N 3.42Å; E294-S298 VanDerWaalsContact O-CB 3.3Å; E294-S298 WeakPolarHBondContact O-CB 3.45Å; E294-S298 PolarHBondContact O-N 3.21Å |
| 295 | W | 96.1 | Very high | 95.7 | Very high | 156 Ų | 156 | 100.2 Ų | 100.2 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 176.5 | -175.7 | 89.3 | 0 | 0 | 0 | 111.9 | E291 A292 E293 K297 S298 K299 | E291-W295 WeakPolarHBondContact O-CB 3.33Å; E291-W295 PolarHBondContact O-N 2.98Å; A292-W295 PolarHBondContact O-N 3.44Å; E293-W295 VanDerWaalsContact C-N 3.33Å; E293-W295 PolarHBondContact O-N 3.31Å; W295-K297 PolarHBondContact O-N 3.01Å; W295-S298 PolarHBondContact O-N 3.45Å; W295-K299 WeakPolarHBondContact O-CB 3.28Å; W295-K299 PolarHBondContact O-N 2.91Å |
| 296 | Y | 96.7 | Very high | 95.9 | Very high | 150 Ų | 150 | 100.3 Ų | 100.3 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 176.1 | -80.4 | -61.4 | 0 | 0 | 0 | 111.6 | A292 E293 K299 V300 | A292-Y296 HydrophobicContact CB-CE2 4.48Å; A292-Y296 WeakPolarHBondContact O-CB 3.4Å; A292-Y296 WeakPolarHBondContact O-CD2 3.45Å; A292-Y296 PolarHBondContact O-N 2.88Å; E293-Y296 PolarHBondContact O-N 3.19Å; Y296-K299 PolarHBondContact O-N 3.39Å; Y296-V300 WeakPolarHBondContact O-CB 3.4Å; Y296-V300 VanDerWaalsContact O-CG2 3.27Å; Y296-V300 WeakPolarHBondContact O-CG2 3.31Å; Y296-V300 PolarHBondContact O-N 3.47Å |
| 297 | K | 97.4 | Very high | 96.1 | Very high | 153 Ų | 153 | 101.5 Ų | 101.5 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 178.4 | -173.5 | -178.7 | 177.6 | -172.4 | 0 | 111.6 | E293 E294 W295 V300 S301 | E293-K297 VanDerWaalsContact O-CB 3.26Å; E293-K297 WeakPolarHBondContact O-CB 3.47Å; E293-K297 PolarHBondContact O-N 3.39Å; E294-K297 PolarHBondContact O-N 3.42Å; W295-K297 PolarHBondContact O-N 3.01Å; K297-V300 PolarHBondContact O-N 2.94Å; K297-S301 VanDerWaalsContact O-CB 3.32Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 3.09Å |
| 298 | S | 96.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 97.7 Ų | 97.7 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 174.1 | -174 | 0 | 0 | 0 | 0 | 110.7 | E294 W295 V300 S301 D302 | E294-S298 VanDerWaalsContact O-CB 3.3Å; E294-S298 WeakPolarHBondContact O-CB 3.45Å; E294-S298 PolarHBondContact O-N 3.21Å; W295-S298 PolarHBondContact O-N 3.45Å; S298-V300 PolarHBondContact O-N 3.02Å; S298-S301 WeakPolarHBondContact O-CB 3.44Å; S298-S301 PolarHBondContact O-N 2.77Å; S298-S301 VanDerWaalsContact O-N 3.12Å; S298-D302 PolarHBondContact O-N 2.97Å |
| 299 | K | 97.1 | Very high | 96.3 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 180 | -165.9 | 68.8 | -170.5 | 172.3 | 0 | 112.9 | W295 Y296 D302 L303 | W295-K299 WeakPolarHBondContact O-CB 3.28Å; W295-K299 PolarHBondContact O-N 2.91Å; Y296-K299 PolarHBondContact O-N 3.39Å; K299-D302 PolarHBondContact O-N 2.99Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 VanDerWaalsContact O-CG 3.28Å; K299-L303 WeakPolarHBondContact O-CG 3.45Å; K299-L303 PolarHBondContact O-N 3.37Å |
| 300 | V | 97.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | Y296 K297 S298 L303 N304 | Y296-V300 WeakPolarHBondContact O-CB 3.4Å; Y296-V300 VanDerWaalsContact O-CG2 3.27Å; Y296-V300 WeakPolarHBondContact O-CG2 3.31Å; Y296-V300 PolarHBondContact O-N 3.47Å; K297-V300 PolarHBondContact O-N 2.94Å; S298-V300 PolarHBondContact O-N 3.02Å; V300-L303 PolarHBondContact O-N 3.41Å; V300-N304 WeakPolarHBondContact O-CB 3.47Å; V300-N304 PolarHBondContact O-N 3.33Å |
| 301 | S | 97.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 100.3 Ų | 100.3 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | K297 S298 L303 N304 Q305 | K297-S301 VanDerWaalsContact O-CB 3.32Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 3.09Å; S298-S301 WeakPolarHBondContact O-CB 3.44Å; S298-S301 PolarHBondContact O-N 2.77Å; S298-S301 VanDerWaalsContact O-N 3.12Å; S301-L303 PolarHBondContact O-N 2.96Å; S301-N304 PolarHBondContact O-N 3.47Å; S301-Q305 WeakPolarHBondContact O-CB 3.04Å; S301-Q305 PolarHBondContact O-N 2.85Å |
| 302 | D | 96.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.7 | -74.2 | -11.2 | 0 | 0 | 0 | 111.7 | S298 K299 Q305 A306 | S298-D302 PolarHBondContact O-N 2.97Å; K299-D302 PolarHBondContact O-N 2.99Å; D302-Q305 PolarHBondContact O-N 2.85Å; D302-A306 WeakPolarHBondContact O-CB 3.38Å; D302-A306 PolarHBondContact O-N 3.25Å |
| 303 | L | 96.2 | Very high | 96.7 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.2 | -73.3 | 174.4 | 0 | 0 | 0 | 111.3 | K299 V300 S301 Q305 A306 V307 | K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 VanDerWaalsContact O-CG 3.28Å; K299-L303 WeakPolarHBondContact O-CG 3.45Å; K299-L303 PolarHBondContact O-N 3.37Å; V300-L303 PolarHBondContact O-N 3.41Å; S301-L303 PolarHBondContact O-N 2.96Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.91Å; L303-A306 PolarHBondContact O-N 3.48Å; L303-V307 WeakPolarHBondContact O-CB 3.3Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.32Å; L303-V307 PolarHBondContact O-N 3.24Å |
| 304 | N | 96.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 175.7 | -109.8 | -36.9 | 0 | 0 | 0 | 112 | V300 S301 V307 S308 | V300-N304 WeakPolarHBondContact O-CB 3.47Å; V300-N304 PolarHBondContact O-N 3.33Å; S301-N304 PolarHBondContact O-N 3.47Å; N304-V307 PolarHBondContact O-N 3.45Å; N304-S308 WeakPolarHBondContact O-CB 3.34Å; N304-S308 PolarHBondContact O-N 3.04Å |
| 305 | Q | 97.7 | Very high | 96.9 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177 | -163.6 | -168.8 | 42.9 | 0 | 0 | 111.1 | S301 D302 L303 S308 K309 | S301-Q305 WeakPolarHBondContact O-CB 3.04Å; S301-Q305 PolarHBondContact O-N 2.85Å; D302-Q305 PolarHBondContact O-N 2.85Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.91Å; Q305-S308 PolarHBondContact O-N 2.8Å; Q305-K309 HydrophobicContact CG-CD 4.49Å; Q305-K309 WeakPolarHBondContact O-CB 3.43Å; Q305-K309 WeakPolarHBondContact O-CG 3.46Å; Q305-K309 PolarHBondContact O-N 2.65Å |
| 306 | A | 96.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D302 L303 K309 N310 | D302-A306 WeakPolarHBondContact O-CB 3.38Å; D302-A306 PolarHBondContact O-N 3.25Å; L303-A306 PolarHBondContact O-N 3.48Å; A306-K309 PolarHBondContact O-N 3.46Å; A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 2.87Å |
| 307 | V | 97.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 91 Ų | 91 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L303 N304 N310 N311 | L303-V307 WeakPolarHBondContact O-CB 3.3Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.32Å; L303-V307 PolarHBondContact O-N 3.24Å; N304-V307 PolarHBondContact O-N 3.45Å; V307-N310 PolarHBondContact O-N 3.19Å; V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 2.9Å; V307-N311 PolarHBondContact O-ND2 3.38Å; V307-N311 VanDerWaalsContact O-ND2 3.1Å |
| 308 | S | 97 | Very high | 96.6 | Very high | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | N304 Q305 N310 N311 Q312 | N304-S308 WeakPolarHBondContact O-CB 3.34Å; N304-S308 PolarHBondContact O-N 3.04Å; Q305-S308 PolarHBondContact O-N 2.8Å; S308-N310 PolarHBondContact O-N 3.15Å; S308-N311 PolarHBondContact O-N 3.32Å; S308-Q312 WeakPolarHBondContact O-CG 3.42Å; S308-Q312 PolarHBondContact O-N 2.93Å |
| 309 | K | 97.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 92.9 Ų | 92.9 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.4 | -74.8 | 174.9 | 178.4 | 171.2 | 0 | 112.1 | Q305 A306 Q312 A313 | Q305-K309 HydrophobicContact CG-CD 4.49Å; Q305-K309 WeakPolarHBondContact O-CB 3.43Å; Q305-K309 WeakPolarHBondContact O-CG 3.46Å; Q305-K309 PolarHBondContact O-N 2.65Å; A306-K309 PolarHBondContact O-N 3.46Å; K309-Q312 PolarHBondContact O-N 3.46Å; K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.42Å |
| 310 | N | 96.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 91.8 Ų | 91.8 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 177.1 | -169.2 | -35.5 | 0 | 0 | 0 | 111.1 | A306 V307 S308 Q312 A313 L314 | A306-N310 WeakPolarHBondContact O-CB 3.43Å; A306-N310 PolarHBondContact O-N 2.87Å; V307-N310 PolarHBondContact O-N 3.19Å; S308-N310 PolarHBondContact O-N 3.15Å; N310-Q312 VanDerWaalsContact C-N 3.34Å; N310-Q312 PolarHBondContact O-N 2.88Å; N310-A313 PolarHBondContact O-N 3.34Å; N310-L314 WeakPolarHBondContact O-CB 3.5Å; N310-L314 PolarHBondContact O-N 3.43Å |
| 311 | N | 97.2 | Very high | 96.2 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 174.4 | -87.6 | -56.4 | 0 | 0 | 0 | 112.7 | V307 S308 L314 Q315 | V307-N311 WeakPolarHBondContact O-CB 3.43Å; V307-N311 PolarHBondContact O-N 2.9Å; V307-N311 PolarHBondContact O-ND2 3.38Å; V307-N311 VanDerWaalsContact O-ND2 3.1Å; S308-N311 PolarHBondContact O-N 3.32Å; N311-L314 PolarHBondContact O-N 2.92Å; N311-Q315 WeakPolarHBondContact O-CB 3.39Å; N311-Q315 VanDerWaalsContact O-CG 3.32Å; N311-Q315 WeakPolarHBondContact O-CG 3.37Å; N311-Q315 PolarHBondContact O-N 3.07Å |
| 312 | Q | 97.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 175.5 | -72.8 | 174.9 | 3.2 | 0 | 0 | 111.6 | S308 K309 N310 L314 Q315 Q316 | S308-Q312 WeakPolarHBondContact O-CG 3.42Å; S308-Q312 PolarHBondContact O-N 2.93Å; K309-Q312 PolarHBondContact O-N 3.46Å; N310-Q312 VanDerWaalsContact C-N 3.34Å; N310-Q312 PolarHBondContact O-N 2.88Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.39Å; Q312-Q315 PolarHBondContact O-N 3.27Å; Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.37Å |
| 313 | A | 95.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 93.1 Ų | 93.1 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K309 N310 Q316 A317 | K309-A313 WeakPolarHBondContact O-CB 3.31Å; K309-A313 PolarHBondContact O-N 3.42Å; N310-A313 PolarHBondContact O-N 3.34Å; A313-Q316 PolarHBondContact O-N 2.83Å; A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.27Å |
| 314 | L | 96.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 93.9 Ų | 93.9 | 38% | 0.382 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 175.7 | -175.7 | 66.3 | 0 | 0 | 0 | 112 | N310 N311 Q312 R318 | N310-L314 WeakPolarHBondContact O-CB 3.5Å; N310-L314 PolarHBondContact O-N 3.43Å; N311-L314 PolarHBondContact O-N 2.92Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.39Å; L314-R318 WeakPolarHBondContact O-CB 3.25Å; L314-R318 VanDerWaalsContact O-CG 3.28Å; L314-R318 WeakPolarHBondContact O-CG 3.37Å; L314-R318 PolarHBondContact O-N 3.04Å |
| 315 | Q | 97.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 95.6 Ų | 95.6 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 175.2 | -76.7 | 179.4 | 0.2 | 0 | 0 | 111.5 | N311 Q312 R318 Q319 | N311-Q315 WeakPolarHBondContact O-CB 3.39Å; N311-Q315 VanDerWaalsContact O-CG 3.32Å; N311-Q315 WeakPolarHBondContact O-CG 3.37Å; N311-Q315 PolarHBondContact O-N 3.07Å; Q312-Q315 PolarHBondContact O-N 3.27Å; Q315-R318 PolarHBondContact O-N 3.47Å; Q315-Q319 PolarHBondContact O-N 2.94Å |
| 316 | Q | 95.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -48.7 | 176.6 | -175.7 | 176.2 | -7.7 | 0 | 0 | 111.4 | Q312 A313 R318 Q319 E320 | Q312-Q316 WeakPolarHBondContact O-CB 3.48Å; Q312-Q316 PolarHBondContact O-N 3.37Å; A313-Q316 PolarHBondContact O-N 2.83Å; Q316-R318 VanDerWaalsContact C-N 3.26Å; Q316-R318 PolarHBondContact O-N 2.88Å; Q316-Q319 WeakPolarHBondContact O-CB 3.48Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.35Å; Q316-E320 PolarHBondContact NE2-OE1 3.43Å; Q316-E320 WeakPolarHBondContact O-CG 3.2Å; Q316-E320 PolarHBondContact O-N 3.39Å |
| 317 | A | 92.1 | Very high | 95.3 | Very high | 45 Ų | 45 | 97.4 Ų | 97.4 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A313 T321 | A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.27Å; A317-T321 WeakPolarHBondContact O-CB 3.11Å; A317-T321 PolarHBondContact O-N 3.01Å; A317-T321 PolarHBondContact O-OG1 2.94Å |
| 318 | R | 96.1 | Very high | 94.9 | Very high | 157 Ų | 157 | 98.7 Ų | 98.7 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 173.4 | -77.8 | 175.4 | 178.2 | 171 | 1.6 | 112.2 | L314 Q315 Q316 T321 L322 | L314-R318 WeakPolarHBondContact O-CB 3.25Å; L314-R318 VanDerWaalsContact O-CG 3.28Å; L314-R318 WeakPolarHBondContact O-CG 3.37Å; L314-R318 PolarHBondContact O-N 3.04Å; Q315-R318 PolarHBondContact O-N 3.47Å; Q316-R318 VanDerWaalsContact C-N 3.26Å; Q316-R318 PolarHBondContact O-N 2.88Å; R318-T321 PolarHBondContact O-N 3.2Å; R318-L322 WeakPolarHBondContact O-CG 3.49Å; R318-L322 PolarHBondContact O-N 3.34Å |
| 319 | Q | 96.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.9 | -179.5 | 58.2 | 30.9 | 0 | 0 | 111.1 | Q315 Q316 T321 L322 E323 | Q315-Q319 PolarHBondContact O-N 2.94Å; Q316-Q319 WeakPolarHBondContact O-CB 3.48Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q319-T321 VanDerWaalsContact C-N 3.32Å; Q319-T321 PolarHBondContact O-N 3.16Å; Q319-L322 WeakPolarHBondContact O-CB 3.41Å; Q319-L322 PolarHBondContact O-N 3.16Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.3Å; Q319-E323 PolarHBondContact NE2-OE1 2.96Å; Q319-E323 WeakPolarHBondContact O-CG 3.43Å; Q319-E323 PolarHBondContact O-N 3.47Å |
| 320 | E | 93.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.4 | -70.1 | 170.8 | -171.8 | 0 | 0 | 111.3 | Q316 L322 E323 F324 | Q316-E320 WeakPolarHBondContact CG-OE1 3.35Å; Q316-E320 PolarHBondContact NE2-OE1 3.43Å; Q316-E320 WeakPolarHBondContact O-CG 3.2Å; Q316-E320 PolarHBondContact O-N 3.39Å; E320-L322 VanDerWaalsContact C-N 3.32Å; E320-L322 PolarHBondContact O-N 3.36Å; E320-E323 PolarHBondContact O-N 3.2Å; E320-F324 HydrophobicContact CB-CE2 4.2Å; E320-F324 WeakPolarHBondContact O-CD2 3.46Å; E320-F324 WeakPolarHBondContact O-CG 3.45Å; E320-F324 PolarHBondContact O-N 3.22Å |
| 321 | T | 94.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 98.6 Ų | 98.6 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.1 | -41.3 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | A317 R318 Q319 R325 | A317-T321 WeakPolarHBondContact O-CB 3.11Å; A317-T321 PolarHBondContact O-N 3.01Å; A317-T321 PolarHBondContact O-OG1 2.94Å; R318-T321 PolarHBondContact O-N 3.2Å; Q319-T321 VanDerWaalsContact C-N 3.32Å; Q319-T321 PolarHBondContact O-N 3.16Å; T321-R325 WeakPolarHBondContact O-CB 3.29Å; T321-R325 PolarHBondContact O-N 3.5Å |
| 322 | L | 95.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177 | -72 | 171.8 | 0 | 0 | 0 | 111.7 | R318 Q319 E320 R325 H326 | R318-L322 WeakPolarHBondContact O-CG 3.49Å; R318-L322 PolarHBondContact O-N 3.34Å; Q319-L322 WeakPolarHBondContact O-CB 3.41Å; Q319-L322 PolarHBondContact O-N 3.16Å; Q319-L322 VanDerWaalsContact O-N 3.11Å; E320-L322 VanDerWaalsContact C-N 3.32Å; E320-L322 PolarHBondContact O-N 3.36Å; L322-R325 WeakPolarHBondContact O-CB 3.31Å; L322-R325 PolarHBondContact O-N 2.96Å; L322-H326 PolarHBondContact O-CD2 3.4Å; L322-H326 PolarHBondContact O-N 2.93Å |
| 323 | E | 95.1 | Very high | 92.8 | Very high | 88 Ų | 88 | 96.5 Ų | 96.5 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 176 | -73.1 | 170.6 | -165.9 | 0 | 0 | 111.7 | Q319 E320 R325 H326 Q327 | Q319-E323 WeakPolarHBondContact CG-OE1 3.3Å; Q319-E323 PolarHBondContact NE2-OE1 2.96Å; Q319-E323 WeakPolarHBondContact O-CG 3.43Å; Q319-E323 PolarHBondContact O-N 3.47Å; E320-E323 PolarHBondContact O-N 3.2Å; E323-R325 VanDerWaalsContact C-N 3.28Å; E323-R325 PolarHBondContact O-N 2.68Å; E323-H326 PolarHBondContact O-N 3.47Å; E323-H326 VanDerWaalsContact O-N 3.16Å; E323-Q327 WeakPolarHBondContact O-CG 3.46Å; E323-Q327 PolarHBondContact O-N 3.35Å |
| 324 | F | 90.2 | Very high | 92.6 | Very high | 119 Ų | 119 | 99 Ų | 99 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.7 | -66.6 | -49.3 | 0 | 0 | 0 | 111.7 | E320 H326 Q327 I328 | E320-F324 HydrophobicContact CB-CE2 4.2Å; E320-F324 WeakPolarHBondContact O-CD2 3.46Å; E320-F324 WeakPolarHBondContact O-CG 3.45Å; E320-F324 PolarHBondContact O-N 3.22Å; F324-H326 VanDerWaalsContact C-N 3.34Å; F324-H326 PolarHBondContact O-N 3.34Å; F324-Q327 PolarHBondContact O-N 2.85Å; F324-I328 VanDerWaalsContact O-CG1 3.26Å; F324-I328 WeakPolarHBondContact O-CG1 3.27Å; F324-I328 PolarHBondContact O-N 2.89Å |
| 325 | R | 91.6 | Very high | 91.9 | Very high | 140 Ų | 140 | 99.7 Ų | 99.7 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.4 | -160.4 | -178 | 87.9 | 119.9 | 1.7 | 112.1 | T321 L322 E323 Q329 | T321-R325 WeakPolarHBondContact O-CB 3.29Å; T321-R325 PolarHBondContact O-N 3.5Å; L322-R325 WeakPolarHBondContact O-CB 3.31Å; L322-R325 PolarHBondContact O-N 2.96Å; E323-R325 VanDerWaalsContact C-N 3.28Å; E323-R325 PolarHBondContact O-N 2.68Å; R325-Q329 WeakPolarHBondContact O-CG 3.4Å; R325-Q329 PolarHBondContact O-N 3.35Å; R325-Q329 VanDerWaalsContact O-N 3.09Å |
| 326 | H | 93.5 | Very high | 91.6 | Very high | 107 Ų | 107 | 97.7 Ų | 97.7 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 175.6 | -78.7 | -61.5 | 0 | 0 | 0 | 112.3 | L322 E323 F324 Q329 A330 | L322-H326 PolarHBondContact O-CD2 3.4Å; L322-H326 PolarHBondContact O-N 2.93Å; E323-H326 PolarHBondContact O-N 3.47Å; E323-H326 VanDerWaalsContact O-N 3.16Å; F324-H326 VanDerWaalsContact C-N 3.34Å; F324-H326 PolarHBondContact O-N 3.34Å; H326-Q329 PolarHBondContact O-N 3.26Å; H326-A330 WeakPolarHBondContact O-CB 3.49Å; H326-A330 PolarHBondContact O-N 3.49Å |
| 327 | Q | 93.7 | Very high | 91 | Very high | 89 Ų | 89 | 95.6 Ų | 95.6 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.6 | -71.9 | 171.8 | 17.3 | 0 | 0 | 111.5 | E323 F324 Q329 A330 Y331 | E323-Q327 WeakPolarHBondContact O-CG 3.46Å; E323-Q327 PolarHBondContact O-N 3.35Å; F324-Q327 PolarHBondContact O-N 2.85Å; Q327-Q329 VanDerWaalsContact C-N 3.31Å; Q327-Q329 PolarHBondContact O-N 3.49Å; Q327-A330 PolarHBondContact O-N 2.92Å; Q327-Y331 HydrophobicContact CB-CD2 4.48Å; Q327-Y331 HydrophobicContact CB-CE2 4.25Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.39Å; Q327-Y331 PolarHBondContact O-N 2.83Å |
| 328 | I | 89.9 | Confident | 90.3 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 56% | 0.559 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.9 | -45 | 175.7 | -70.5 | 166.1 | 0 | 0 | 0 | 110.6 | F324 Y331 T332 | F324-I328 VanDerWaalsContact O-CG1 3.26Å; F324-I328 WeakPolarHBondContact O-CG1 3.27Å; F324-I328 PolarHBondContact O-N 2.89Å; I328-Y331 PolarHBondContact O-N 3.39Å; I328-T332 WeakPolarHBondContact O-CB 3.29Å; I328-T332 PolarHBondContact O-N 3.29Å; I328-T332 PolarHBondContact O-OG1 3.31Å |
| 329 | Q | 91.1 | Very high | 89.8 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.8 | -73.7 | 178.5 | -5 | 0 | 0 | 112.1 | R325 H326 Q327 T332 C333 | R325-Q329 WeakPolarHBondContact O-CG 3.4Å; R325-Q329 PolarHBondContact O-N 3.35Å; R325-Q329 VanDerWaalsContact O-N 3.09Å; H326-Q329 PolarHBondContact O-N 3.26Å; Q327-Q329 VanDerWaalsContact C-N 3.31Å; Q327-Q329 PolarHBondContact O-N 3.49Å; Q329-T332 PolarHBondContact O-N 2.88Å; Q329-C333 PolarHBondContact O-N 3.4Å; Q329-C333 PolarHBondContact O-SG 3.28Å |
| 330 | A | 89.2 | Confident | 89.2 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H326 Q327 T332 C333 E334 | H326-A330 WeakPolarHBondContact O-CB 3.49Å; H326-A330 PolarHBondContact O-N 3.49Å; Q327-A330 PolarHBondContact O-N 2.92Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 2.95Å; A330-C333 PolarHBondContact O-N 3.25Å; A330-E334 PolarHBondContact O-N 3.27Å |
| 331 | Y | 85.8 | Confident | 88.8 | Confident | 140 Ų | 140 | 93.1 Ų | 93.1 | 55% | 0.549 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 176.3 | -68.4 | -45.9 | 0 | 0 | 0 | 112.5 | Q327 I328 E334 I335 | Q327-Y331 HydrophobicContact CB-CD2 4.48Å; Q327-Y331 HydrophobicContact CB-CE2 4.25Å; Q327-Y331 WeakPolarHBondContact O-CD2 3.39Å; Q327-Y331 PolarHBondContact O-N 2.83Å; I328-Y331 PolarHBondContact O-N 3.39Å; Y331-E334 PolarHBondContact O-N 2.88Å; Y331-I335 WeakPolarHBondContact O-CB 3.46Å; Y331-I335 WeakPolarHBondContact O-CD1 3.45Å; Y331-I335 WeakPolarHBondContact O-CG1 3.31Å; Y331-I335 PolarHBondContact O-N 3.34Å |
| 332 | T | 86.4 | Confident | 88 | Confident | 67 Ų | 67 | 93.1 Ų | 93.1 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | I328 Q329 A330 E334 I335 D336 | I328-T332 WeakPolarHBondContact O-CB 3.29Å; I328-T332 PolarHBondContact O-N 3.29Å; I328-T332 PolarHBondContact O-OG1 3.31Å; Q329-T332 PolarHBondContact O-N 2.88Å; A330-T332 VanDerWaalsContact C-N 3.33Å; A330-T332 PolarHBondContact O-N 2.95Å; T332-E334 VanDerWaalsContact C-N 3.34Å; T332-E334 PolarHBondContact O-N 3.03Å; T332-I335 PolarHBondContact O-N 3.46Å; T332-D336 PolarHBondContact O-N 3.25Å |
| 333 | C | 89.2 | Confident | 87.7 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 60% | 0.595 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 175.8 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | Q329 A330 D336 S337 | Q329-C333 PolarHBondContact O-N 3.4Å; Q329-C333 PolarHBondContact O-SG 3.28Å; A330-C333 PolarHBondContact O-N 3.25Å; C333-D336 PolarHBondContact O-N 2.93Å; C333-S337 VanDerWaalsContact O-CB 3.32Å; C333-S337 WeakPolarHBondContact O-CB 3.06Å; C333-S337 PolarHBondContact O-N 3.2Å |
| 334 | E | 90.4 | Very high | 87.3 | Confident | 110 Ų | 110 | 92.2 Ų | 92.2 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 176 | -174.8 | 175 | -170.6 | 0 | 0 | 111.4 | A330 Y331 T332 D336 S337 L338 | A330-E334 PolarHBondContact O-N 3.27Å; Y331-E334 PolarHBondContact O-N 2.88Å; T332-E334 VanDerWaalsContact C-N 3.34Å; T332-E334 PolarHBondContact O-N 3.03Å; E334-D336 VanDerWaalsContact C-N 3.35Å; E334-D336 PolarHBondContact O-N 3.32Å; E334-S337 WeakPolarHBondContact O-CB 3.45Å; E334-S337 PolarHBondContact O-N 3.28Å; E334-L338 HydrophobicContact CG-CD1 4.16Å; E334-L338 WeakPolarHBondContact O-CB 2.99Å; E334-L338 VanDerWaalsContact O-CG 3.32Å; E334-L338 WeakPolarHBondContact O-CG 3.2Å; E334-L338 PolarHBondContact O-N 3.49Å |
| 335 | I | 83.6 | Confident | 87 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.1 | -72.8 | 165.9 | 0 | 0 | 0 | 110.6 | Y331 T332 L338 K339 | Y331-I335 WeakPolarHBondContact O-CB 3.46Å; Y331-I335 WeakPolarHBondContact O-CD1 3.45Å; Y331-I335 WeakPolarHBondContact O-CG1 3.31Å; Y331-I335 PolarHBondContact O-N 3.34Å; T332-I335 PolarHBondContact O-N 3.46Å; I335-L338 PolarHBondContact O-N 3.35Å; I335-K339 HydrophobicContact CG2-CD 4.05Å; I335-K339 VanDerWaalsContact CG2-CE 3.44Å; I335-K339 HydrophobicContact CG2-CG 4.43Å; I335-K339 WeakPolarHBondContact O-CB 3.48Å; I335-K339 VanDerWaalsContact O-CG 3.3Å; I335-K339 WeakPolarHBondContact O-CG 3.36Å; I335-K339 PolarHBondContact O-N 2.9Å |
| 336 | D | 89.2 | Confident | 86.8 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | -178.7 | -69.9 | -20.6 | 0 | 0 | 0 | 112 | T332 C333 E334 K339 G340 | T332-D336 PolarHBondContact O-N 3.25Å; C333-D336 PolarHBondContact O-N 2.93Å; E334-D336 VanDerWaalsContact C-N 3.35Å; E334-D336 PolarHBondContact O-N 3.32Å; D336-K339 PolarHBondContact O-N 3.16Å; D336-K339 IonicContact OD1-NZ 3.32Å; D336-G340 PolarHBondContact O-N 3.34Å |
| 337 | S | 85.3 | Confident | 86.6 | Confident | 75 Ų | 75 | 89.1 Ų | 89.1 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 170.5 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | C333 E334 K339 G340 T341 | C333-S337 VanDerWaalsContact O-CB 3.32Å; C333-S337 WeakPolarHBondContact O-CB 3.06Å; C333-S337 PolarHBondContact O-N 3.2Å; E334-S337 WeakPolarHBondContact O-CB 3.45Å; E334-S337 PolarHBondContact O-N 3.28Å; S337-K339 PolarHBondContact O-N 2.9Å; S337-G340 PolarHBondContact O-N 2.88Å; S337-G340 VanDerWaalsContact O-N 3.16Å; S337-T341 WeakPolarHBondContact O-CG2 3.38Å; S337-T341 PolarHBondContact O-N 3.37Å |
| 338 | L | 77.3 | Confident | 86.5 | Confident | 101 Ų | 101 | 90 Ų | 90 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 178.5 | -71.6 | 174.7 | 0 | 0 | 0 | 112.5 | E334 I335 T341 N342 | E334-L338 HydrophobicContact CG-CD1 4.16Å; E334-L338 WeakPolarHBondContact O-CB 2.99Å; E334-L338 VanDerWaalsContact O-CG 3.32Å; E334-L338 WeakPolarHBondContact O-CG 3.2Å; E334-L338 PolarHBondContact O-N 3.49Å; I335-L338 PolarHBondContact O-N 3.35Å; L338-T341 WeakPolarHBondContact CA-OG1 3.31Å; L338-T341 PolarHBondContact O-N 2.97Å; L338-T341 PolarHBondContact O-OG1 3.45Å; L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.44Å; L338-N342 PolarHBondContact O-N 2.89Å |
| 339 | K | 85.8 | Confident | 86.3 | Confident | 119 Ų | 119 | 89.4 Ų | 89.4 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 171.1 | -75.8 | 172.5 | -176.6 | 165.6 | 0 | 110.8 | I335 D336 S337 T341 N342 E343 | I335-K339 HydrophobicContact CG2-CD 4.05Å; I335-K339 VanDerWaalsContact CG2-CE 3.44Å; I335-K339 HydrophobicContact CG2-CG 4.43Å; I335-K339 WeakPolarHBondContact O-CB 3.48Å; I335-K339 VanDerWaalsContact O-CG 3.3Å; I335-K339 WeakPolarHBondContact O-CG 3.36Å; I335-K339 PolarHBondContact O-N 2.9Å; D336-K339 PolarHBondContact O-N 3.16Å; D336-K339 IonicContact OD1-NZ 3.32Å; S337-K339 PolarHBondContact O-N 2.9Å; K339-T341 PolarHBondContact O-N 3.04Å; K339-N342 PolarHBondContact O-N 3.39Å; K339-E343 WeakPolarHBondContact O-CG 3.36Å; K339-E343 PolarHBondContact O-N 3.36Å |
| 340 | G | 82.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D336 S337 S344 | D336-G340 PolarHBondContact O-N 3.34Å; S337-G340 PolarHBondContact O-N 2.88Å; S337-G340 VanDerWaalsContact O-N 3.16Å; G340-S344 WeakPolarHBondContact O-CB 3.46Å; G340-S344 PolarHBondContact O-N 2.94Å |
| 341 | T | 84.2 | Confident | 86.4 | Confident | 70 Ų | 70 | 93 Ų | 93 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 176.2 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | S337 L338 K339 S344 L345 | S337-T341 WeakPolarHBondContact O-CG2 3.38Å; S337-T341 PolarHBondContact O-N 3.37Å; L338-T341 WeakPolarHBondContact CA-OG1 3.31Å; L338-T341 PolarHBondContact O-N 2.97Å; L338-T341 PolarHBondContact O-OG1 3.45Å; K339-T341 PolarHBondContact O-N 3.04Å; T341-S344 WeakPolarHBondContact O-CB 3.08Å; T341-S344 PolarHBondContact O-N 3.47Å; T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 3.21Å |
| 342 | N | 77.3 | Confident | 86.5 | Confident | 92 Ų | 92 | 90.9 Ų | 90.9 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.3 | -168.3 | -43.6 | 0 | 0 | 0 | 111.3 | L338 K339 S344 L345 L346 | L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.44Å; L338-N342 PolarHBondContact O-N 2.89Å; K339-N342 PolarHBondContact O-N 3.39Å; N342-S344 VanDerWaalsContact C-N 3.28Å; N342-S344 PolarHBondContact O-N 2.86Å; N342-L345 PolarHBondContact O-N 2.88Å; N342-L345 VanDerWaalsContact O-N 3.15Å; N342-L346 WeakPolarHBondContact O-CG 3.49Å; N342-L346 PolarHBondContact O-N 2.79Å; N342-L346 VanDerWaalsContact OD1-CD1 3.27Å; N342-L346 WeakPolarHBondContact OD1-CD1 3.44Å; N342-L346 WeakPolarHBondContact OD1-CG 3.35Å |
| 343 | E | 89.4 | Confident | 86.7 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 175.6 | -72.6 | -170.3 | -168.3 | 0 | 0 | 112.6 | K339 L346 R347 | K339-E343 WeakPolarHBondContact O-CG 3.36Å; K339-E343 PolarHBondContact O-N 3.36Å; E343-L346 PolarHBondContact O-N 2.87Å; E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-N 3.32Å; E343-R347 IonicContact OE2-CZ 3.93Å; E343-R347 IonicContact OE2-NH1 3.26Å; E343-R347 PolarHBondContact OE2-NH1 3.37Å; E343-R347 IonicContact OE2-NH2 3.61Å; E343-R347 PolarHBondContact OE2-NH2 3.45Å |
| 344 | S | 88.5 | Confident | 86.9 | Confident | 54 Ų | 54 | 93.8 Ų | 93.8 | 38% | 0.378 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | G340 T341 N342 R347 Q348 | G340-S344 WeakPolarHBondContact O-CB 3.46Å; G340-S344 PolarHBondContact O-N 2.94Å; T341-S344 WeakPolarHBondContact O-CB 3.08Å; T341-S344 PolarHBondContact O-N 3.47Å; N342-S344 VanDerWaalsContact C-N 3.28Å; N342-S344 PolarHBondContact O-N 2.86Å; S344-R347 PolarHBondContact O-N 3.23Å; S344-Q348 WeakPolarHBondContact O-CG 3.44Å; S344-Q348 PolarHBondContact O-N 2.97Å |
| 345 | L | 83.6 | Confident | 87.1 | Confident | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 177.1 | -71 | 172 | 0 | 0 | 0 | 111.6 | T341 N342 R347 Q348 M349 | T341-L345 WeakPolarHBondContact O-CG 3.45Å; T341-L345 PolarHBondContact O-N 3.21Å; N342-L345 PolarHBondContact O-N 2.88Å; N342-L345 VanDerWaalsContact O-N 3.15Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 3.26Å; L345-Q348 PolarHBondContact O-N 3.29Å; L345-M349 WeakPolarHBondContact O-CB 3.5Å; L345-M349 PolarHBondContact O-N 3.04Å |
| 346 | L | 86.1 | Confident | 87.4 | Confident | 74 Ų | 74 | 96.8 Ų | 96.8 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 175.2 | -71.7 | 175.3 | 0 | 0 | 0 | 112.7 | N342 E343 M349 R350 | N342-L346 WeakPolarHBondContact O-CG 3.49Å; N342-L346 PolarHBondContact O-N 2.79Å; N342-L346 VanDerWaalsContact OD1-CD1 3.27Å; N342-L346 WeakPolarHBondContact OD1-CD1 3.44Å; N342-L346 WeakPolarHBondContact OD1-CG 3.35Å; E343-L346 PolarHBondContact O-N 2.87Å; L346-M349 HydrophobicContact CD2-CE 4.07Å; L346-R350 WeakPolarHBondContact O-CG 3.18Å; L346-R350 PolarHBondContact O-N 3.43Å; L346-R350 PolarHBondContact O-NE 2.9Å |
| 347 | R | 90.6 | Very high | 87.6 | Confident | 122 Ų | 122 | 94.8 Ų | 94.8 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -47.7 | 171.7 | -75.9 | -177.7 | -171.3 | 94 | 4 | 110.7 | E343 S344 L345 M349 R350 D351 | E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-N 3.32Å; E343-R347 IonicContact OE2-CZ 3.93Å; E343-R347 IonicContact OE2-NH1 3.26Å; E343-R347 PolarHBondContact OE2-NH1 3.37Å; E343-R347 IonicContact OE2-NH2 3.61Å; E343-R347 PolarHBondContact OE2-NH2 3.45Å; S344-R347 PolarHBondContact O-N 3.23Å; L345-R347 VanDerWaalsContact C-N 3.31Å; L345-R347 PolarHBondContact O-N 3.26Å; R347-M349 VanDerWaalsContact C-N 3.32Å; R347-M349 PolarHBondContact O-N 3.16Å; R347-R350 PolarHBondContact O-N 3.08Å; R347-D351 PolarHBondContact O-N 2.92Å |
| 348 | Q | 90.8 | Very high | 88 | Confident | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 177.6 | -74 | 178.1 | -4.2 | 0 | 0 | 112.7 | S344 L345 D351 M352 | S344-Q348 WeakPolarHBondContact O-CG 3.44Å; S344-Q348 PolarHBondContact O-N 2.97Å; L345-Q348 PolarHBondContact O-N 3.29Å; Q348-D351 PolarHBondContact O-N 2.85Å; Q348-M352 WeakPolarHBondContact O-CB 3.4Å; Q348-M352 VanDerWaalsContact O-CG 3.26Å; Q348-M352 WeakPolarHBondContact O-CG 3.24Å; Q348-M352 PolarHBondContact O-N 3.21Å |
| 349 | M | 85.7 | Confident | 88.9 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177 | -171.3 | 179.9 | 74.1 | 0 | 0 | 111.4 | L345 L346 R347 D351 M352 E353 | L345-M349 WeakPolarHBondContact O-CB 3.5Å; L345-M349 PolarHBondContact O-N 3.04Å; L346-M349 HydrophobicContact CD2-CE 4.07Å; R347-M349 VanDerWaalsContact C-N 3.32Å; R347-M349 PolarHBondContact O-N 3.16Å; M349-D351 PolarHBondContact O-N 3.43Å; M349-M352 PolarHBondContact O-N 3.21Å; M349-E353 WeakPolarHBondContact O-CG 3.37Å; M349-E353 PolarHBondContact O-N 3.02Å |
| 350 | R | 90.5 | Very high | 89.2 | Confident | 134 Ų | 134 | 95.5 Ų | 95.5 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.5 | -78.8 | 179.3 | -81.3 | 160.2 | -13.1 | 112.4 | L346 R347 M352 E353 E354 | L346-R350 WeakPolarHBondContact O-CG 3.18Å; L346-R350 PolarHBondContact O-N 3.43Å; L346-R350 PolarHBondContact O-NE 2.9Å; R347-R350 PolarHBondContact O-N 3.08Å; R350-M352 VanDerWaalsContact C-N 3.29Å; R350-M352 PolarHBondContact O-N 3.34Å; R350-E353 PolarHBondContact O-N 3.06Å; R350-E354 WeakPolarHBondContact O-CB 3.35Å; R350-E354 PolarHBondContact O-N 3.35Å |
| 351 | D | 93 | Very high | 89.8 | Confident | 87 Ų | 87 | 95 Ų | 95 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.3 | -69 | -12.1 | 0 | 0 | 0 | 111.5 | R347 Q348 M349 R355 | R347-D351 PolarHBondContact O-N 2.92Å; Q348-D351 PolarHBondContact O-N 2.85Å; M349-D351 PolarHBondContact O-N 3.43Å; D351-R355 WeakPolarHBondContact O-CB 3.25Å; D351-R355 WeakPolarHBondContact O-CG 3.45Å; D351-R355 PolarHBondContact O-N 2.89Å |
| 352 | M | 87.9 | Confident | 90.5 | Very high | 96 Ų | 96 | 93.1 Ų | 93.1 | 47% | 0.473 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 175.6 | -73.7 | -64.7 | -61.7 | 0 | 0 | 112.1 | Q348 M349 R350 E354 R355 H356 | Q348-M352 WeakPolarHBondContact O-CB 3.4Å; Q348-M352 VanDerWaalsContact O-CG 3.26Å; Q348-M352 WeakPolarHBondContact O-CG 3.24Å; Q348-M352 PolarHBondContact O-N 3.21Å; M349-M352 PolarHBondContact O-N 3.21Å; R350-M352 VanDerWaalsContact C-N 3.29Å; R350-M352 PolarHBondContact O-N 3.34Å; M352-E354 VanDerWaalsContact C-N 3.31Å; M352-E354 PolarHBondContact O-N 3.38Å; M352-R355 PolarHBondContact O-N 2.87Å; M352-H356 PolarHBondContact O-N 3.47Å |
| 353 | E | 90 | Very high | 91.3 | Very high | 113 Ų | 113 | 95.4 Ų | 95.4 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.4 | -73.2 | 169.8 | 170.8 | 0 | 0 | 111.3 | M349 R350 H356 G357 | M349-E353 WeakPolarHBondContact O-CG 3.37Å; M349-E353 PolarHBondContact O-N 3.02Å; R350-E353 PolarHBondContact O-N 3.06Å; E353-H356 PolarHBondContact O-N 3.35Å; E353-G357 PolarHBondContact O-N 3.22Å |
| 354 | E | 92.7 | Very high | 91.7 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 179 | -156.7 | -162.7 | -168.7 | 0 | 0 | 112 | R350 M352 R358 | R350-E354 WeakPolarHBondContact O-CB 3.35Å; R350-E354 PolarHBondContact O-N 3.35Å; M352-E354 VanDerWaalsContact C-N 3.31Å; M352-E354 PolarHBondContact O-N 3.38Å; E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.41Å; E354-R358 PolarHBondContact O-N 3.5Å; E354-R358 PolarHBondContact O-NH1 3.41Å; E354-R358 IonicContact OE1-CZ 2.89Å; E354-R358 IonicContact OE1-NH1 3.35Å; E354-R358 IonicContact OE1-NH2 3.24Å; E354-R358 PolarHBondContact OE1-NH2 2.94Å; E354-R358 IonicContact OE2-CZ 2.61Å; E354-R358 VanDerWaalsContact OE2-CZ 3.23Å; E354-R358 IonicContact OE2-NH1 3.69Å; E354-R358 PolarHBondContact OE2-NH1 3.22Å; E354-R358 IonicContact OE2-NH2 3.92Å; E354-R358 PolarHBondContact OE2-NH2 3.49Å |
| 355 | R | 95.4 | Very high | 92.2 | Very high | 156 Ų | 156 | 100.6 Ų | 100.6 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -50.1 | 172.7 | -77.8 | 170.4 | -174.5 | -113.2 | 2.6 | 111.5 | D351 M352 G357 R358 E359 | D351-R355 WeakPolarHBondContact O-CB 3.25Å; D351-R355 WeakPolarHBondContact O-CG 3.45Å; D351-R355 PolarHBondContact O-N 2.89Å; M352-R355 PolarHBondContact O-N 2.87Å; R355-G357 VanDerWaalsContact C-N 3.29Å; R355-G357 PolarHBondContact O-N 2.87Å; R355-R358 WeakPolarHBondContact O-CB 3.21Å; R355-R358 PolarHBondContact O-N 3.27Å; R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 2.9Å |
| 356 | H | 90.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 177.2 | -69.4 | 169.1 | 0 | 0 | 0 | 111.8 | M352 E353 R358 E359 A360 | M352-H356 PolarHBondContact O-N 3.47Å; E353-H356 PolarHBondContact O-N 3.35Å; H356-R358 VanDerWaalsContact C-N 3.35Å; H356-R358 PolarHBondContact O-N 3.5Å; H356-E359 PolarHBondContact O-N 3.32Å; H356-A360 VanDerWaalsContact O-CB 3.3Å; H356-A360 WeakPolarHBondContact O-CB 3.47Å; H356-A360 PolarHBondContact O-N 2.82Å |
| 357 | G | 91.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 98.5 Ų | 98.5 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E353 R355 G361 | E353-G357 PolarHBondContact O-N 3.22Å; R355-G357 VanDerWaalsContact C-N 3.29Å; R355-G357 PolarHBondContact O-N 2.87Å; G357-G361 PolarHBondContact O-N 3.18Å |
| 358 | R | 94.6 | Very high | 93.8 | Very high | 142 Ų | 142 | 95 Ų | 95 | 54% | 0.536 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.3 | -72.5 | 178.4 | -172 | 105.1 | -8.2 | 112.7 | E354 R355 H356 G361 G362 | E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.41Å; E354-R358 PolarHBondContact O-N 3.5Å; E354-R358 PolarHBondContact O-NH1 3.41Å; E354-R358 IonicContact OE1-CZ 2.89Å; E354-R358 IonicContact OE1-NH1 3.35Å; E354-R358 IonicContact OE1-NH2 3.24Å; E354-R358 PolarHBondContact OE1-NH2 2.94Å; E354-R358 IonicContact OE2-CZ 2.61Å; E354-R358 VanDerWaalsContact OE2-CZ 3.23Å; E354-R358 IonicContact OE2-NH1 3.69Å; E354-R358 PolarHBondContact OE2-NH1 3.22Å; E354-R358 IonicContact OE2-NH2 3.92Å; E354-R358 PolarHBondContact OE2-NH2 3.49Å; R355-R358 WeakPolarHBondContact O-CB 3.21Å; R355-R358 PolarHBondContact O-N 3.27Å; H356-R358 VanDerWaalsContact C-N 3.35Å; H356-R358 PolarHBondContact O-N 3.5Å; R358-G361 PolarHBondContact O-N 3.43Å; R358-G362 PolarHBondContact O-N 2.99Å |
| 359 | E | 95.8 | Very high | 94.1 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.1 | -72.8 | 173.9 | -173.7 | 0 | 0 | 111.3 | R355 H356 G361 G362 F363 | R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 2.9Å; H356-E359 PolarHBondContact O-N 3.32Å; E359-G361 PolarHBondContact O-N 3.17Å; E359-G362 PolarHBondContact O-N 3.12Å; E359-F363 HydrophobicContact CB-CE2 4.33Å; E359-F363 WeakPolarHBondContact O-CD2 3.43Å; E359-F363 WeakPolarHBondContact O-CG 3.33Å; E359-F363 PolarHBondContact O-N 3.47Å |
| 360 | A | 92.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H356 G362 F363 Q364 | H356-A360 VanDerWaalsContact O-CB 3.3Å; H356-A360 WeakPolarHBondContact O-CB 3.47Å; H356-A360 PolarHBondContact O-N 2.82Å; A360-G362 PolarHBondContact O-N 2.85Å; A360-F363 PolarHBondContact O-N 3.1Å; A360-Q364 WeakPolarHBondContact O-CB 3.36Å; A360-Q364 PolarHBondContact O-N 3.17Å |
| 361 | G | 96 | Very high | 95.1 | Very high | 28 Ų | 28 | 95.1 Ų | 95.1 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G357 R358 E359 F363 Q364 D365 | G357-G361 PolarHBondContact O-N 3.18Å; R358-G361 PolarHBondContact O-N 3.43Å; E359-G361 PolarHBondContact O-N 3.17Å; G361-F363 PolarHBondContact O-N 3.37Å; G361-Q364 WeakPolarHBondContact O-CB 3.11Å; G361-Q364 PolarHBondContact O-N 3.12Å; G361-Q364 VanDerWaalsContact O-N 3.14Å; G361-D365 PolarHBondContact O-N 3.19Å |
| 362 | G | 97.6 | Very high | 95.3 | Very high | 31 Ų | 31 | 93.6 Ų | 93.6 | 32% | 0.32 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R358 E359 A360 D365 T366 | R358-G362 PolarHBondContact O-N 2.99Å; E359-G362 PolarHBondContact O-N 3.12Å; A360-G362 PolarHBondContact O-N 2.85Å; G362-D365 PolarHBondContact O-N 3.33Å; G362-T366 WeakPolarHBondContact O-CG2 3.25Å; G362-T366 PolarHBondContact O-N 2.65Å |
| 363 | F | 95.6 | Very high | 95.8 | Very high | 140 Ų | 140 | 93.1 Ų | 93.1 | 61% | 0.614 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 174 | -65.9 | -53 | 0 | 0 | 0 | 111.9 | E359 A360 G361 D365 T366 V367 | E359-F363 HydrophobicContact CB-CE2 4.33Å; E359-F363 WeakPolarHBondContact O-CD2 3.43Å; E359-F363 WeakPolarHBondContact O-CG 3.33Å; E359-F363 PolarHBondContact O-N 3.47Å; A360-F363 PolarHBondContact O-N 3.1Å; G361-F363 PolarHBondContact O-N 3.37Å; F363-D365 VanDerWaalsContact C-N 3.33Å; F363-D365 PolarHBondContact O-N 2.89Å; F363-T366 PolarHBondContact O-N 3.46Å; F363-T366 VanDerWaalsContact O-N 3.15Å; F363-T366 PolarHBondContact O-OG1 2.94Å; F363-V367 WeakPolarHBondContact O-CG2 3.34Å; F363-V367 PolarHBondContact O-N 2.69Å |
| 364 | Q | 97.3 | Very high | 96.2 | Very high | 143 Ų | 143 | 92.1 Ų | 92.1 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 177.2 | -171.7 | 167.3 | -1 | 0 | 0 | 112.2 | A360 G361 T366 V367 A368 | A360-Q364 WeakPolarHBondContact O-CB 3.36Å; A360-Q364 PolarHBondContact O-N 3.17Å; G361-Q364 WeakPolarHBondContact O-CB 3.11Å; G361-Q364 PolarHBondContact O-N 3.12Å; G361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-T366 VanDerWaalsContact C-N 3.35Å; Q364-T366 PolarHBondContact O-N 3.22Å; Q364-V367 PolarHBondContact O-N 2.88Å; Q364-A368 WeakPolarHBondContact O-CB 3.34Å; Q364-A368 PolarHBondContact O-N 3.25Å |
| 365 | D | 98 | Very high | 96.5 | Very high | 116 Ų | 116 | 89.4 Ų | 89.4 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 173.8 | -69 | -20.4 | 0 | 0 | 0 | 111.6 | G361 G362 F363 A368 R369 | G361-D365 PolarHBondContact O-N 3.19Å; G362-D365 PolarHBondContact O-N 3.33Å; F363-D365 VanDerWaalsContact C-N 3.33Å; F363-D365 PolarHBondContact O-N 2.89Å; D365-A368 PolarHBondContact O-N 3.21Å; D365-R369 WeakPolarHBondContact O-CB 3.49Å; D365-R369 PolarHBondContact O-N 3.47Å |
| 366 | T | 98.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 85.5 Ų | 85.5 | 39% | 0.393 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | G362 F363 Q364 R369 L370 | G362-T366 WeakPolarHBondContact O-CG2 3.25Å; G362-T366 PolarHBondContact O-N 2.65Å; F363-T366 PolarHBondContact O-N 3.46Å; F363-T366 VanDerWaalsContact O-N 3.15Å; F363-T366 PolarHBondContact O-OG1 2.94Å; Q364-T366 VanDerWaalsContact C-N 3.35Å; Q364-T366 PolarHBondContact O-N 3.22Å; T366-R369 PolarHBondContact O-N 2.9Å; T366-L370 WeakPolarHBondContact O-CG 3.48Å; T366-L370 PolarHBondContact O-N 3.49Å |
| 367 | V | 97.7 | Very high | 97 | Very high | 72 Ų | 72 | 86 Ų | 86 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 175 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | F363 Q364 R369 L370 E371 | F363-V367 WeakPolarHBondContact O-CG2 3.34Å; F363-V367 PolarHBondContact O-N 2.69Å; Q364-V367 PolarHBondContact O-N 2.88Å; V367-R369 VanDerWaalsContact C-N 3.29Å; V367-R369 PolarHBondContact O-N 3.46Å; V367-L370 PolarHBondContact O-N 3.17Å; V367-L370 VanDerWaalsContact O-N 3.11Å; V367-E371 HydrophobicContact CG1-CG 4.26Å; V367-E371 WeakPolarHBondContact O-CG 3.4Å; V367-E371 PolarHBondContact O-N 2.64Å |
| 368 | A | 97.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 89.9 Ų | 89.9 | 41% | 0.413 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q364 D365 E371 A372 | Q364-A368 WeakPolarHBondContact O-CB 3.34Å; Q364-A368 PolarHBondContact O-N 3.25Å; D365-A368 PolarHBondContact O-N 3.21Å; A368-E371 PolarHBondContact O-N 2.73Å; A368-A372 WeakPolarHBondContact O-CB 3.23Å; A368-A372 PolarHBondContact O-N 2.63Å |
| 369 | R | 98.5 | Very high | 97.4 | Very high | 134 Ų | 134 | 88.6 Ų | 88.6 | 51% | 0.506 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.6 | -175.1 | -175.7 | 65.3 | 84.5 | 3.8 | 111.8 | D365 T366 V367 A372 E373 | D365-R369 WeakPolarHBondContact O-CB 3.49Å; D365-R369 PolarHBondContact O-N 3.47Å; T366-R369 PolarHBondContact O-N 2.9Å; V367-R369 VanDerWaalsContact C-N 3.29Å; V367-R369 PolarHBondContact O-N 3.46Å; R369-A372 PolarHBondContact O-N 3.1Å; R369-E373 IonicContact CZ-OE1 3.85Å; R369-E373 VanDerWaalsContact NH1-CD 3.33Å; R369-E373 IonicContact NH1-OE1 3.04Å; R369-E373 PolarHBondContact NH1-OE1 2.85Å; R369-E373 IonicContact NH1-OE2 3.81Å; R369-E373 PolarHBondContact NH1-OE2 2.6Å; R369-E373 WeakPolarHBondContact O-CG 3.4Å; R369-E373 PolarHBondContact O-N 3.11Å |
| 370 | L | 98.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 87.7 Ų | 87.7 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 179.2 | -71.4 | 173.1 | 0 | 0 | 0 | 111.9 | T366 V367 A372 E373 I374 | T366-L370 WeakPolarHBondContact O-CG 3.48Å; T366-L370 PolarHBondContact O-N 3.49Å; V367-L370 PolarHBondContact O-N 3.17Å; V367-L370 VanDerWaalsContact O-N 3.11Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-E373 PolarHBondContact O-N 3.36Å; L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.33Å; L370-I374 PolarHBondContact O-N 3.31Å |
| 371 | E | 97.9 | Very high | 97.8 | Very high | 122 Ų | 122 | 90.5 Ų | 90.5 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 173.9 | -73.3 | 178.4 | 161.3 | 0 | 0 | 111.6 | V367 A368 I374 A375 | V367-E371 HydrophobicContact CG1-CG 4.26Å; V367-E371 WeakPolarHBondContact O-CG 3.4Å; V367-E371 PolarHBondContact O-N 2.64Å; A368-E371 PolarHBondContact O-N 2.73Å; E371-I374 PolarHBondContact O-N 3.2Å; E371-A375 PolarHBondContact O-N 3.24Å |
| 372 | A | 98 | Very high | 97.9 | Very high | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A368 R369 L370 I374 A375 T376 | A368-A372 WeakPolarHBondContact O-CB 3.23Å; A368-A372 PolarHBondContact O-N 2.63Å; R369-A372 PolarHBondContact O-N 3.1Å; L370-A372 VanDerWaalsContact C-N 3.34Å; A372-I374 VanDerWaalsContact C-N 3.33Å; A372-I374 PolarHBondContact O-N 3.29Å; A372-A375 WeakPolarHBondContact O-CB 3.43Å; A372-A375 PolarHBondContact O-N 3.5Å; A372-A375 VanDerWaalsContact O-N 3.14Å; A372-T376 WeakPolarHBondContact O-CG2 3.49Å; A372-T376 PolarHBondContact O-N 2.99Å; A372-T376 PolarHBondContact O-OG1 2.84Å |
| 373 | E | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 95.1 Ų | 95.1 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 175 | -75.7 | 172.2 | -168.7 | 0 | 0 | 112 | R369 L370 A375 T376 M377 | R369-E373 IonicContact CZ-OE1 3.85Å; R369-E373 VanDerWaalsContact NH1-CD 3.33Å; R369-E373 IonicContact NH1-OE1 3.04Å; R369-E373 PolarHBondContact NH1-OE1 2.85Å; R369-E373 IonicContact NH1-OE2 3.81Å; R369-E373 PolarHBondContact NH1-OE2 2.6Å; R369-E373 WeakPolarHBondContact O-CG 3.4Å; R369-E373 PolarHBondContact O-N 3.11Å; L370-E373 PolarHBondContact O-N 3.36Å; E373-A375 VanDerWaalsContact C-N 3.32Å; E373-A375 PolarHBondContact O-N 2.92Å; E373-T376 WeakPolarHBondContact CA-OG1 3.45Å; E373-T376 PolarHBondContact O-N 3.05Å; E373-T376 PolarHBondContact O-OG1 3.25Å; E373-M377 WeakPolarHBondContact O-CB 3.31Å; E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 3.18Å |
| 374 | I | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 92.5 Ų | 92.5 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.3 | -71.2 | 165.7 | 0 | 0 | 0 | 110.6 | L370 E371 A372 K378 | L370-I374 VanDerWaalsContact O-CG1 3.26Å; L370-I374 WeakPolarHBondContact O-CG1 3.33Å; L370-I374 PolarHBondContact O-N 3.31Å; E371-I374 PolarHBondContact O-N 3.2Å; A372-I374 VanDerWaalsContact C-N 3.33Å; A372-I374 PolarHBondContact O-N 3.29Å; I374-K378 HydrophobicContact CG2-CD 4.13Å; I374-K378 WeakPolarHBondContact O-CB 3.5Å; I374-K378 VanDerWaalsContact O-CG 3.28Å; I374-K378 WeakPolarHBondContact O-CG 3.27Å; I374-K378 PolarHBondContact O-N 2.94Å |
| 375 | A | 98.1 | Very high | 98 | Very high | 45 Ų | 45 | 91.2 Ų | 91.2 | 37% | 0.372 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E371 A372 E373 M377 K378 D379 | E371-A375 PolarHBondContact O-N 3.24Å; A372-A375 WeakPolarHBondContact O-CB 3.43Å; A372-A375 PolarHBondContact O-N 3.5Å; A372-A375 VanDerWaalsContact O-N 3.14Å; E373-A375 VanDerWaalsContact C-N 3.32Å; E373-A375 PolarHBondContact O-N 2.92Å; A375-M377 PolarHBondContact O-N 3.4Å; A375-K378 WeakPolarHBondContact O-CB 3.38Å; A375-K378 PolarHBondContact O-N 3.27Å; A375-D379 PolarHBondContact O-N 3.47Å |
| 376 | T | 98.4 | Very high | 98 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | A372 E373 K378 D379 E380 | A372-T376 WeakPolarHBondContact O-CG2 3.49Å; A372-T376 PolarHBondContact O-N 2.99Å; A372-T376 PolarHBondContact O-OG1 2.84Å; E373-T376 WeakPolarHBondContact CA-OG1 3.45Å; E373-T376 PolarHBondContact O-N 3.05Å; E373-T376 PolarHBondContact O-OG1 3.25Å; T376-K378 VanDerWaalsContact C-N 3.31Å; T376-K378 PolarHBondContact O-N 3.5Å; T376-D379 PolarHBondContact O-N 2.96Å; T376-E380 WeakPolarHBondContact O-CG 3.29Å; T376-E380 PolarHBondContact O-N 2.92Å |
| 377 | M | 97.7 | Very high | 98 | Very high | 115 Ų | 115 | 93.6 Ų | 93.6 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | 177.6 | -68.4 | -61.7 | -62.5 | 0 | 0 | 112.3 | E373 A375 M381 | E373-M377 WeakPolarHBondContact O-CB 3.31Å; E373-M377 WeakPolarHBondContact O-CG 3.42Å; E373-M377 PolarHBondContact O-N 3.18Å; A375-M377 PolarHBondContact O-N 3.4Å; M377-M381 WeakPolarHBondContact O-CB 3.31Å; M377-M381 PolarHBondContact O-N 2.7Å |
| 378 | K | 98.3 | Very high | 98 | Very high | 127 Ų | 127 | 97.9 Ų | 97.9 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65 | -43 | 173.5 | -77.6 | 172.6 | 179.2 | 176 | 0 | 111.5 | I374 A375 T376 M381 A382 | I374-K378 HydrophobicContact CG2-CD 4.13Å; I374-K378 WeakPolarHBondContact O-CB 3.5Å; I374-K378 VanDerWaalsContact O-CG 3.28Å; I374-K378 WeakPolarHBondContact O-CG 3.27Å; I374-K378 PolarHBondContact O-N 2.94Å; A375-K378 WeakPolarHBondContact O-CB 3.38Å; A375-K378 PolarHBondContact O-N 3.27Å; T376-K378 VanDerWaalsContact C-N 3.31Å; T376-K378 PolarHBondContact O-N 3.5Å; K378-M381 PolarHBondContact O-N 3.2Å; K378-A382 WeakPolarHBondContact O-CB 3.44Å; K378-A382 PolarHBondContact O-N 2.96Å |
| 379 | D | 98.1 | Very high | 98 | Very high | 115 Ų | 115 | 100.1 Ų | 100.1 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 177.6 | -74 | -18.8 | 0 | 0 | 0 | 111.8 | A375 T376 A382 R383 | A375-D379 PolarHBondContact O-N 3.47Å; T376-D379 PolarHBondContact O-N 2.96Å; D379-A382 PolarHBondContact O-N 3.18Å; D379-R383 WeakPolarHBondContact O-CB 3.38Å; D379-R383 PolarHBondContact O-N 3.38Å |
| 380 | E | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.7 | -73.5 | 176.9 | -177.3 | 0 | 0 | 111.9 | T376 A382 R383 H384 | T376-E380 WeakPolarHBondContact O-CG 3.29Å; T376-E380 PolarHBondContact O-N 2.92Å; E380-A382 VanDerWaalsContact C-N 3.35Å; E380-A382 PolarHBondContact O-N 2.87Å; E380-R383 WeakPolarHBondContact O-CB 3.28Å; E380-R383 PolarHBondContact O-N 2.95Å; E380-R383 VanDerWaalsContact O-N 3.15Å; E380-H384 PolarHBondContact O-CD2 3.46Å; E380-H384 PolarHBondContact O-N 2.7Å |
| 381 | M | 97.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 175.3 | -177.3 | 165.7 | 63.2 | 0 | 0 | 111.5 | M377 K378 R383 H384 L385 | M377-M381 WeakPolarHBondContact O-CB 3.31Å; M377-M381 PolarHBondContact O-N 2.7Å; K378-M381 PolarHBondContact O-N 3.2Å; M381-R383 VanDerWaalsContact C-N 3.29Å; M381-R383 PolarHBondContact O-N 2.97Å; M381-H384 PolarHBondContact O-N 2.8Å; M381-L385 HydrophobicContact CG-CD1 4.46Å; M381-L385 WeakPolarHBondContact O-CG 3.38Å; M381-L385 PolarHBondContact O-N 2.87Å |
| 382 | A | 97.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 98 Ų | 98 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K378 D379 E380 R386 | K378-A382 WeakPolarHBondContact O-CB 3.44Å; K378-A382 PolarHBondContact O-N 2.96Å; D379-A382 PolarHBondContact O-N 3.18Å; E380-A382 VanDerWaalsContact C-N 3.35Å; E380-A382 PolarHBondContact O-N 2.87Å; A382-R386 PolarHBondContact O-N 3.34Å; A382-R386 PolarHBondContact O-NE 3.35Å |
| 383 | R | 98.2 | Very high | 97.8 | Very high | 119 Ų | 119 | 99.1 Ų | 99.1 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 174 | -164.5 | -176.2 | 91.2 | 77.1 | 15.5 | 111 | D379 E380 M381 L385 R386 E387 | D379-R383 WeakPolarHBondContact O-CB 3.38Å; D379-R383 PolarHBondContact O-N 3.38Å; E380-R383 WeakPolarHBondContact O-CB 3.28Å; E380-R383 PolarHBondContact O-N 2.95Å; E380-R383 VanDerWaalsContact O-N 3.15Å; M381-R383 VanDerWaalsContact C-N 3.29Å; M381-R383 PolarHBondContact O-N 2.97Å; R383-L385 PolarHBondContact O-N 3.28Å; R383-R386 WeakPolarHBondContact O-CB 3.37Å; R383-R386 PolarHBondContact O-N 3.04Å; R383-E387 IonicContact CZ-OE1 3.64Å; R383-E387 IonicContact CZ-OE2 3.53Å; R383-E387 IonicContact NH1-OE1 3.35Å; R383-E387 PolarHBondContact NH1-OE1 2.84Å; R383-E387 IonicContact NH2-OE1 3.58Å; R383-E387 PolarHBondContact NH2-OE1 2.93Å; R383-E387 IonicContact NH2-OE2 2.79Å; R383-E387 PolarHBondContact NH2-OE2 3.26Å; R383-E387 WeakPolarHBondContact O-CG 3.49Å; R383-E387 PolarHBondContact O-N 3.32Å |
| 384 | H | 97.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 99 Ų | 99 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.4 | -72.7 | -39.2 | 0 | 0 | 0 | 112.5 | E380 M381 R386 E387 Y388 | E380-H384 PolarHBondContact O-CD2 3.46Å; E380-H384 PolarHBondContact O-N 2.7Å; M381-H384 PolarHBondContact O-N 2.8Å; H384-R386 VanDerWaalsContact C-N 3.27Å; H384-R386 PolarHBondContact O-N 3.41Å; H384-E387 IonicContact CE1-OE2 2.87Å; H384-E387 IonicContact ND1-OE2 3.53Å; H384-E387 PolarHBondContact ND1-OE2 3.29Å; H384-E387 PolarHBondContact O-N 2.84Å; H384-E387 VanDerWaalsContact O-N 3.16Å; H384-Y388 HydrophobicContact CB-CD2 4.37Å; H384-Y388 HydrophobicContact CB-CE2 4.24Å; H384-Y388 WeakPolarHBondContact O-CD2 3.31Å; H384-Y388 PolarHBondContact O-N 3.34Å |
| 385 | L | 97.9 | Very high | 97.8 | Very high | 116 Ų | 116 | 99.7 Ų | 99.7 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.4 | -39.6 | 175.6 | -74.3 | 171.3 | 0 | 0 | 0 | 112.3 | M381 R383 Y388 Q389 | M381-L385 HydrophobicContact CG-CD1 4.46Å; M381-L385 WeakPolarHBondContact O-CG 3.38Å; M381-L385 PolarHBondContact O-N 2.87Å; R383-L385 PolarHBondContact O-N 3.28Å; L385-Y388 PolarHBondContact O-N 3.36Å; L385-Q389 PolarHBondContact O-N 3.31Å |
| 386 | R | 97.8 | Very high | 97.8 | Very high | 149 Ų | 149 | 102.8 Ų | 102.8 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -48.3 | 173.3 | -77.1 | 179.4 | -103 | 129.6 | -5.9 | 111.8 | A382 R383 H384 Y388 Q389 D390 | A382-R386 PolarHBondContact O-N 3.34Å; A382-R386 PolarHBondContact O-NE 3.35Å; R383-R386 WeakPolarHBondContact O-CB 3.37Å; R383-R386 PolarHBondContact O-N 3.04Å; H384-R386 VanDerWaalsContact C-N 3.27Å; H384-R386 PolarHBondContact O-N 3.41Å; R386-Y388 VanDerWaalsContact C-N 3.31Å; R386-Y388 PolarHBondContact O-N 2.85Å; R386-Q389 PolarHBondContact O-N 2.8Å; R386-Q389 VanDerWaalsContact O-N 3.16Å; R386-D390 PolarHBondContact O-N 3.18Å |
| 387 | E | 97.7 | Very high | 97.7 | Very high | 80 Ų | 80 | 101.7 Ų | 101.7 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 177.3 | -68.1 | 175.5 | 150.2 | 0 | 0 | 112.5 | R383 H384 D390 L391 | R383-E387 IonicContact CZ-OE1 3.64Å; R383-E387 IonicContact CZ-OE2 3.53Å; R383-E387 IonicContact NH1-OE1 3.35Å; R383-E387 PolarHBondContact NH1-OE1 2.84Å; R383-E387 IonicContact NH2-OE1 3.58Å; R383-E387 PolarHBondContact NH2-OE1 2.93Å; R383-E387 IonicContact NH2-OE2 2.79Å; R383-E387 PolarHBondContact NH2-OE2 3.26Å; R383-E387 WeakPolarHBondContact O-CG 3.49Å; R383-E387 PolarHBondContact O-N 3.32Å; H384-E387 IonicContact CE1-OE2 2.87Å; H384-E387 IonicContact ND1-OE2 3.53Å; H384-E387 PolarHBondContact ND1-OE2 3.29Å; H384-E387 PolarHBondContact O-N 2.84Å; H384-E387 VanDerWaalsContact O-N 3.16Å; E387-D390 PolarHBondContact O-N 2.84Å; E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 3.37Å |
| 388 | Y | 97.8 | Very high | 97.7 | Very high | 162 Ų | 162 | 100.1 Ų | 100.1 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 175.2 | -80.6 | -64.8 | 0 | 0 | 0 | 112.2 | H384 L385 R386 D390 L391 L392 | H384-Y388 HydrophobicContact CB-CD2 4.37Å; H384-Y388 HydrophobicContact CB-CE2 4.24Å; H384-Y388 WeakPolarHBondContact O-CD2 3.31Å; H384-Y388 PolarHBondContact O-N 3.34Å; L385-Y388 PolarHBondContact O-N 3.36Å; R386-Y388 VanDerWaalsContact C-N 3.31Å; R386-Y388 PolarHBondContact O-N 2.85Å; Y388-D390 VanDerWaalsContact C-N 3.34Å; Y388-L391 PolarHBondContact O-N 2.96Å; Y388-L392 WeakPolarHBondContact O-CB 3.37Å; Y388-L392 PolarHBondContact O-N 3.49Å |
| 389 | Q | 97.4 | Very high | 97.6 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.3 | -174.8 | 61.1 | 53.7 | 0 | 0 | 111.3 | L385 R386 L392 N393 | L385-Q389 PolarHBondContact O-N 3.31Å; R386-Q389 PolarHBondContact O-N 2.8Å; R386-Q389 VanDerWaalsContact O-N 3.16Å; Q389-L392 WeakPolarHBondContact O-CB 3.42Å; Q389-L392 PolarHBondContact O-N 2.79Å; Q389-N393 PolarHBondContact NE2-OD1 2.98Å; Q389-N393 PolarHBondContact O-N 3.34Å; Q389-N393 PolarHBondContact O-ND2 2.82Å; Q389-N393 PolarHBondContact O-OD1 3.5Å |
| 390 | D | 97.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 96.3 Ų | 96.3 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177 | -69.8 | -22.3 | 0 | 0 | 0 | 111.5 | R386 E387 Y388 L392 N393 V394 | R386-D390 PolarHBondContact O-N 3.18Å; E387-D390 PolarHBondContact O-N 2.84Å; Y388-D390 VanDerWaalsContact C-N 3.34Å; D390-L392 PolarHBondContact O-N 3.27Å; D390-N393 WeakPolarHBondContact O-CB 3.31Å; D390-N393 PolarHBondContact O-N 2.88Å; D390-V394 WeakPolarHBondContact O-CG2 3.33Å; D390-V394 PolarHBondContact O-N 3Å |
| 391 | L | 97.8 | Very high | 97.4 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 176 | -176.2 | 61.7 | 0 | 0 | 0 | 112.1 | E387 Y388 N393 V394 K395 | E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 3.37Å; Y388-L391 PolarHBondContact O-N 2.96Å; L391-N393 VanDerWaalsContact C-N 3.32Å; L391-V394 PolarHBondContact O-N 3.12Å; L391-K395 WeakPolarHBondContact O-CB 3.47Å; L391-K395 PolarHBondContact O-N 3.42Å |
| 392 | L | 97.3 | Very high | 97.3 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.1 | 179.2 | 63.6 | 0 | 0 | 0 | 111 | Y388 Q389 D390 V394 K395 M396 | Y388-L392 WeakPolarHBondContact O-CB 3.37Å; Y388-L392 PolarHBondContact O-N 3.49Å; Q389-L392 WeakPolarHBondContact O-CB 3.42Å; Q389-L392 PolarHBondContact O-N 2.79Å; D390-L392 PolarHBondContact O-N 3.27Å; L392-V394 VanDerWaalsContact C-N 3.35Å; L392-V394 PolarHBondContact O-N 3.38Å; L392-K395 PolarHBondContact O-N 2.82Å; L392-M396 WeakPolarHBondContact O-CG 3.49Å; L392-M396 PolarHBondContact O-N 3.39Å |
| 393 | N | 97 | Very high | 97.2 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.3 | -64.8 | -22.8 | 0 | 0 | 0 | 111.3 | Q389 D390 L391 M396 A397 | Q389-N393 PolarHBondContact NE2-OD1 2.98Å; Q389-N393 PolarHBondContact O-N 3.34Å; Q389-N393 PolarHBondContact O-ND2 2.82Å; Q389-N393 PolarHBondContact O-OD1 3.5Å; D390-N393 WeakPolarHBondContact O-CB 3.31Å; D390-N393 PolarHBondContact O-N 2.88Å; L391-N393 VanDerWaalsContact C-N 3.32Å; N393-M396 PolarHBondContact O-N 3.3Å; N393-A397 PolarHBondContact O-N 3.46Å |
| 394 | V | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | D390 L391 L392 M396 A397 L398 | D390-V394 WeakPolarHBondContact O-CG2 3.33Å; D390-V394 PolarHBondContact O-N 3Å; L391-V394 PolarHBondContact O-N 3.12Å; L392-V394 VanDerWaalsContact C-N 3.35Å; L392-V394 PolarHBondContact O-N 3.38Å; V394-M396 VanDerWaalsContact C-N 3.33Å; V394-M396 PolarHBondContact O-N 2.76Å; V394-A397 WeakPolarHBondContact O-CB 3.5Å; V394-A397 PolarHBondContact O-N 3.43Å; V394-L398 HydrophobicContact CG1-CD1 4.25Å; V394-L398 WeakPolarHBondContact O-CG 3.25Å; V394-L398 PolarHBondContact O-N 2.88Å |
| 395 | K | 97.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 95.8 Ų | 95.8 | 47% | 0.47 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.6 | -173.5 | -91.5 | 175.1 | 179.5 | 0 | 111.7 | L391 L392 A397 L398 D399 | L391-K395 WeakPolarHBondContact O-CB 3.47Å; L391-K395 PolarHBondContact O-N 3.42Å; L392-K395 PolarHBondContact O-N 2.82Å; K395-A397 VanDerWaalsContact C-N 3.34Å; K395-L398 PolarHBondContact O-N 3.33Å; K395-D399 VanDerWaalsContact CD-OD2 3.31Å; K395-D399 WeakPolarHBondContact CD-OD2 3.19Å; K395-D399 VanDerWaalsContact CE-OD1 3.27Å; K395-D399 WeakPolarHBondContact CE-OD1 3.44Å; K395-D399 WeakPolarHBondContact CE-OD2 3.42Å; K395-D399 IonicContact NZ-OD1 3.25Å; K395-D399 PolarHBondContact NZ-OD1 2.92Å; K395-D399 IonicContact NZ-OD2 2.64Å; K395-D399 PolarHBondContact NZ-OD2 2.78Å; K395-D399 PolarHBondContact O-N 2.9Å |
| 396 | M | 97.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 98 Ų | 98 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.1 | -73.2 | -175.8 | 64.8 | 0 | 0 | 111.8 | L392 N393 V394 D399 V400 | L392-M396 WeakPolarHBondContact O-CG 3.49Å; L392-M396 PolarHBondContact O-N 3.39Å; N393-M396 PolarHBondContact O-N 3.3Å; V394-M396 VanDerWaalsContact C-N 3.33Å; V394-M396 PolarHBondContact O-N 2.76Å; M396-D399 PolarHBondContact O-N 2.8Å; M396-V400 WeakPolarHBondContact O-CG2 3.32Å; M396-V400 PolarHBondContact O-N 3.4Å; M396-V400 VanDerWaalsContact O-N 3.1Å |
| 397 | A | 97.2 | Very high | 96.4 | Very high | 50 Ų | 50 | 98.5 Ų | 98.5 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N393 V394 K395 D399 V400 E401 | N393-A397 PolarHBondContact O-N 3.46Å; V394-A397 WeakPolarHBondContact O-CB 3.5Å; V394-A397 PolarHBondContact O-N 3.43Å; K395-A397 VanDerWaalsContact C-N 3.34Å; A397-D399 PolarHBondContact O-N 2.9Å; A397-V400 WeakPolarHBondContact O-CB 3.47Å; A397-V400 PolarHBondContact O-N 3.41Å; A397-E401 WeakPolarHBondContact O-CG 3.23Å; A397-E401 PolarHBondContact O-N 3.49Å |
| 398 | L | 97 | Very high | 96.1 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.2 | -69 | 174.4 | 0 | 0 | 0 | 113 | V394 K395 V400 E401 I402 | V394-L398 HydrophobicContact CG1-CD1 4.25Å; V394-L398 WeakPolarHBondContact O-CG 3.25Å; V394-L398 PolarHBondContact O-N 2.88Å; K395-L398 PolarHBondContact O-N 3.33Å; L398-V400 VanDerWaalsContact C-N 3.29Å; L398-V400 PolarHBondContact O-N 2.83Å; L398-E401 PolarHBondContact O-N 2.9Å; L398-I402 VanDerWaalsContact O-CG1 3.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.31Å; L398-I402 PolarHBondContact O-N 2.93Å |
| 399 | D | 96.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 97.4 Ų | 97.4 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.9 | -71.9 | -29.1 | 0 | 0 | 0 | 111.6 | K395 M396 A397 I402 A403 | K395-D399 VanDerWaalsContact CD-OD2 3.31Å; K395-D399 WeakPolarHBondContact CD-OD2 3.19Å; K395-D399 VanDerWaalsContact CE-OD1 3.27Å; K395-D399 WeakPolarHBondContact CE-OD1 3.44Å; K395-D399 WeakPolarHBondContact CE-OD2 3.42Å; K395-D399 IonicContact NZ-OD1 3.25Å; K395-D399 PolarHBondContact NZ-OD1 2.92Å; K395-D399 IonicContact NZ-OD2 2.64Å; K395-D399 PolarHBondContact NZ-OD2 2.78Å; K395-D399 PolarHBondContact O-N 2.9Å; M396-D399 PolarHBondContact O-N 2.8Å; A397-D399 PolarHBondContact O-N 2.9Å; D399-I402 PolarHBondContact O-N 3.44Å; D399-A403 WeakPolarHBondContact O-CB 3.5Å; D399-A403 PolarHBondContact O-N 2.9Å |
| 400 | V | 95.9 | Very high | 94.8 | Very high | 95 Ų | 95 | 98.4 Ų | 98.4 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -46.7 | 175 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | M396 A397 L398 I402 A403 T404 | M396-V400 WeakPolarHBondContact O-CG2 3.32Å; M396-V400 PolarHBondContact O-N 3.4Å; M396-V400 VanDerWaalsContact O-N 3.1Å; A397-V400 WeakPolarHBondContact O-CB 3.47Å; A397-V400 PolarHBondContact O-N 3.41Å; L398-V400 VanDerWaalsContact C-N 3.29Å; L398-V400 PolarHBondContact O-N 2.83Å; V400-I402 PolarHBondContact O-N 2.97Å; V400-A403 PolarHBondContact O-N 3.21Å; V400-T404 HydrophobicContact CG1-CG2 4.5Å; V400-T404 WeakPolarHBondContact O-CG2 3.25Å; V400-T404 PolarHBondContact O-N 2.93Å; V400-T404 PolarHBondContact O-OG1 3.46Å |
| 401 | E | 96.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 95.4 Ų | 95.4 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 175.2 | -72.2 | 177.6 | -166 | 0 | 0 | 111.6 | A397 L398 A403 T404 Y405 | A397-E401 WeakPolarHBondContact O-CG 3.23Å; A397-E401 PolarHBondContact O-N 3.49Å; L398-E401 PolarHBondContact O-N 2.9Å; E401-A403 VanDerWaalsContact C-N 3.32Å; E401-A403 PolarHBondContact O-N 3.21Å; E401-T404 WeakPolarHBondContact CA-OG1 3.36Å; E401-T404 PolarHBondContact O-N 2.84Å; E401-T404 VanDerWaalsContact O-N 3.1Å; E401-T404 PolarHBondContact O-OG1 3.33Å; E401-Y405 HydrophobicContact CB-CD2 4.39Å; E401-Y405 HydrophobicContact CB-CE2 4.08Å; E401-Y405 WeakPolarHBondContact O-CD2 3.22Å; E401-Y405 PolarHBondContact O-N 2.86Å |
| 402 | I | 94.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 93.7 Ų | 93.7 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.9 | -68.7 | 166.3 | 0 | 0 | 0 | 111.1 | L398 D399 V400 T404 Y405 R406 | L398-I402 VanDerWaalsContact O-CG1 3.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.31Å; L398-I402 PolarHBondContact O-N 2.93Å; D399-I402 PolarHBondContact O-N 3.44Å; V400-I402 PolarHBondContact O-N 2.97Å; I402-T404 VanDerWaalsContact C-N 3.32Å; I402-T404 PolarHBondContact O-N 3.23Å; I402-Y405 PolarHBondContact O-N 2.85Å; I402-R406 HydrophobicContact CG2-CG 4.46Å; I402-R406 WeakPolarHBondContact O-CB 3.48Å; I402-R406 WeakPolarHBondContact O-CG 3.44Å; I402-R406 PolarHBondContact O-N 3.4Å |
| 403 | A | 95.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D399 V400 E401 R406 K407 | D399-A403 WeakPolarHBondContact O-CB 3.5Å; D399-A403 PolarHBondContact O-N 2.9Å; V400-A403 PolarHBondContact O-N 3.21Å; E401-A403 VanDerWaalsContact C-N 3.32Å; E401-A403 PolarHBondContact O-N 3.21Å; A403-R406 PolarHBondContact O-N 3.34Å; A403-K407 PolarHBondContact O-N 2.83Å |
| 404 | T | 93.6 | Very high | 89.1 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 174.8 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | V400 E401 I402 R406 K407 L408 | V400-T404 HydrophobicContact CG1-CG2 4.5Å; V400-T404 WeakPolarHBondContact O-CG2 3.25Å; V400-T404 PolarHBondContact O-N 2.93Å; V400-T404 PolarHBondContact O-OG1 3.46Å; E401-T404 WeakPolarHBondContact CA-OG1 3.36Å; E401-T404 PolarHBondContact O-N 2.84Å; E401-T404 VanDerWaalsContact O-N 3.1Å; E401-T404 PolarHBondContact O-OG1 3.33Å; I402-T404 VanDerWaalsContact C-N 3.32Å; I402-T404 PolarHBondContact O-N 3.23Å; T404-R406 PolarHBondContact O-N 3.44Å; T404-K407 PolarHBondContact O-N 2.98Å; T404-L408 PolarHBondContact O-N 2.93Å |
| 405 | Y | 95.6 | Very high | 87.3 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 175.3 | -71.5 | -57.1 | 0 | 0 | 0 | 111.7 | E401 I402 K407 L408 L409 | E401-Y405 HydrophobicContact CB-CD2 4.39Å; E401-Y405 HydrophobicContact CB-CE2 4.08Å; E401-Y405 WeakPolarHBondContact O-CD2 3.22Å; E401-Y405 PolarHBondContact O-N 2.86Å; I402-Y405 PolarHBondContact O-N 2.85Å; Y405-K407 PolarHBondContact O-N 3.14Å; Y405-L408 PolarHBondContact O-N 3.4Å; Y405-L409 WeakPolarHBondContact O-CD1 3.39Å; Y405-L409 PolarHBondContact O-N 3.37Å |
| 406 | R | 93.7 | Very high | 85.5 | Confident | 162 Ų | 162 | 101.3 Ų | 101.3 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.3 | -46.5 | 174.5 | -76.2 | 177.4 | 179.8 | 171.8 | 1.4 | 111.9 | I402 A403 T404 L408 L409 E410 | I402-R406 HydrophobicContact CG2-CG 4.46Å; I402-R406 WeakPolarHBondContact O-CB 3.48Å; I402-R406 WeakPolarHBondContact O-CG 3.44Å; I402-R406 PolarHBondContact O-N 3.4Å; A403-R406 PolarHBondContact O-N 3.34Å; T404-R406 PolarHBondContact O-N 3.44Å; R406-L408 VanDerWaalsContact C-N 3.32Å; R406-L408 PolarHBondContact O-N 2.76Å; R406-L409 PolarHBondContact O-N 3.5Å; R406-E410 WeakPolarHBondContact O-CG 3.37Å; R406-E410 PolarHBondContact O-N 2.81Å |
| 407 | K | 92.2 | Very high | 83.3 | Confident | 160 Ų | 160 | 99.9 Ų | 99.9 | 70% | 0.696 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | 178.2 | -171.1 | 176.1 | -178.3 | 179 | 0 | 112.7 | A403 T404 Y405 G411 | A403-K407 PolarHBondContact O-N 2.83Å; T404-K407 PolarHBondContact O-N 2.98Å; Y405-K407 PolarHBondContact O-N 3.14Å; K407-G411 PolarHBondContact O-N 3.37Å |
| 408 | L | 90.8 | Very high | 80.7 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 173.8 | -80.2 | 156.2 | 0 | 0 | 0 | 111.5 | T404 Y405 R406 G411 E412 | T404-L408 PolarHBondContact O-N 2.93Å; Y405-L408 PolarHBondContact O-N 3.4Å; R406-L408 VanDerWaalsContact C-N 3.32Å; R406-L408 PolarHBondContact O-N 2.76Å; L408-G411 PolarHBondContact O-N 3.4Å; L408-E412 WeakPolarHBondContact O-CG 3.14Å; L408-E412 PolarHBondContact O-N 3.08Å |
| 409 | L | 86.4 | Confident | 78.3 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -45.2 | 176.6 | -81.6 | 151.7 | 0 | 0 | 0 | 112.4 | Y405 R406 G411 E412 E413 | Y405-L409 WeakPolarHBondContact O-CD1 3.39Å; Y405-L409 PolarHBondContact O-N 3.37Å; R406-L409 PolarHBondContact O-N 3.5Å; L409-G411 PolarHBondContact O-N 2.98Å; L409-E412 WeakPolarHBondContact O-CB 3.13Å; L409-E412 PolarHBondContact O-N 3.49Å; L409-E412 VanDerWaalsContact O-N 3.11Å; L409-E413 WeakPolarHBondContact O-CG 3.34Å; L409-E413 PolarHBondContact O-N 2.85Å |
| 410 | E | 82.8 | Confident | 75.7 | Confident | 119 Ų | 119 | 110.2 Ų | 110.2 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61 | -35.5 | 173.3 | -72 | 168.7 | -170.4 | 0 | 0 | 111.5 | R406 S414 | R406-E410 WeakPolarHBondContact O-CG 3.37Å; R406-E410 PolarHBondContact O-N 2.81Å; E410-S414 WeakPolarHBondContact O-CB 3.33Å; E410-S414 PolarHBondContact O-N 3.38Å; E410-S414 PolarHBondContact O-OG 2.82Å |
| 411 | G | 75 | Confident | 73.1 | Confident | 34 Ų | 34 | 113 Ų | 113 | 35% | 0.351 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K407 L408 L409 R415 | K407-G411 PolarHBondContact O-N 3.37Å; L408-G411 PolarHBondContact O-N 3.4Å; L409-G411 PolarHBondContact O-N 2.98Å; G411-R415 WeakPolarHBondContact O-CG 3.39Å; G411-R415 PolarHBondContact O-N 3.48Å |
| 412 | E | 69.9 | Low | 70.1 | Confident | 78 Ų | 78 | 115.7 Ų | 115.7 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -44.9 | 174 | -74.3 | -73.5 | 151.3 | 0 | 0 | 112 | L408 L409 S414 R415 I416 | L408-E412 WeakPolarHBondContact O-CG 3.14Å; L408-E412 PolarHBondContact O-N 3.08Å; L409-E412 WeakPolarHBondContact O-CB 3.13Å; L409-E412 PolarHBondContact O-N 3.49Å; L409-E412 VanDerWaalsContact O-N 3.11Å; E412-S414 VanDerWaalsContact C-N 3.27Å; E412-S414 PolarHBondContact O-N 2.88Å; E412-R415 VanDerWaalsContact CD-NH1 3.26Å; E412-R415 WeakPolarHBondContact O-CA 3.26Å; E412-R415 WeakPolarHBondContact O-CB 3.27Å; E412-R415 PolarHBondContact O-N 2.81Å; E412-R415 IonicContact OE1-CZ 2.63Å; E412-R415 IonicContact OE1-NH1 2.7Å; E412-R415 PolarHBondContact OE1-NH1 3.39Å; E412-R415 IonicContact OE1-NH2 3.83Å; E412-R415 PolarHBondContact OE1-NH2 2.84Å; E412-R415 IonicContact OE2-CZ 3.63Å; E412-R415 VanDerWaalsContact OE2-CZ 3.25Å; E412-R415 IonicContact OE2-NH1 2.73Å; E412-R415 IonicContact OE2-NH2 3.03Å; E412-R415 PolarHBondContact OE2-NH2 3.06Å; E412-I416 WeakPolarHBondContact O-CG1 3.14Å; E412-I416 PolarHBondContact O-N 2.89Å |
| 413 | E | 65.3 | Low | 67.6 | Low | 129 Ų | 129 | 121.6 Ų | 121.6 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61 | -37.2 | 174.6 | -72.3 | 179.2 | 177.4 | 0 | 0 | 111.3 | L409 R415 I416 A417 | L409-E413 WeakPolarHBondContact O-CG 3.34Å; L409-E413 PolarHBondContact O-N 2.85Å; E413-R415 VanDerWaalsContact C-N 3.25Å; E413-R415 PolarHBondContact O-N 3.34Å; E413-I416 PolarHBondContact O-N 2.85Å; E413-A417 WeakPolarHBondContact O-CB 3.27Å; E413-A417 PolarHBondContact O-N 3.02Å |
| 414 | S | 59.4 | Low | 64.7 | Low | 79 Ų | 79 | 124.1 Ų | 124.1 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64 | -27.1 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | E410 E412 | E410-S414 WeakPolarHBondContact O-CB 3.33Å; E410-S414 PolarHBondContact O-N 3.38Å; E410-S414 PolarHBondContact O-OG 2.82Å; E412-S414 VanDerWaalsContact C-N 3.27Å; E412-S414 PolarHBondContact O-N 2.88Å |
| 415 | R | 60.6 | Low | 61.9 | Low | 166 Ų | 166 | 126.9 Ų | 126.9 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83 | -29.6 | 172.9 | -60.5 | -160.8 | -38.6 | -111.1 | 3.5 | 113.2 | G411 E412 E413 | G411-R415 WeakPolarHBondContact O-CG 3.39Å; G411-R415 PolarHBondContact O-N 3.48Å; E412-R415 VanDerWaalsContact CD-NH1 3.26Å; E412-R415 WeakPolarHBondContact O-CA 3.26Å; E412-R415 WeakPolarHBondContact O-CB 3.27Å; E412-R415 PolarHBondContact O-N 2.81Å; E412-R415 IonicContact OE1-CZ 2.63Å; E412-R415 IonicContact OE1-NH1 2.7Å; E412-R415 PolarHBondContact OE1-NH1 3.39Å; E412-R415 IonicContact OE1-NH2 3.83Å; E412-R415 PolarHBondContact OE1-NH2 2.84Å; E412-R415 IonicContact OE2-CZ 3.63Å; E412-R415 VanDerWaalsContact OE2-CZ 3.25Å; E412-R415 IonicContact OE2-NH1 2.73Å; E412-R415 IonicContact OE2-NH2 3.03Å; E412-R415 PolarHBondContact OE2-NH2 3.06Å; E413-R415 VanDerWaalsContact C-N 3.25Å; E413-R415 PolarHBondContact O-N 3.34Å |
| 416 | I | 58.4 | Low | 59.3 | Low | 138 Ų | 138 | 128.1 Ų | 128.1 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.9 | -29.7 | 179.9 | -64.3 | 169.4 | 0 | 0 | 0 | 111 | E412 E413 L418 | E412-I416 WeakPolarHBondContact O-CG1 3.14Å; E412-I416 PolarHBondContact O-N 2.89Å; E413-I416 PolarHBondContact O-N 2.85Å; I416-L418 PolarHBondContact O-N 3.47Å |
| 417 | A | 52.2 | Low | 56.5 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -87 | 8.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E413 | E413-A417 WeakPolarHBondContact O-CB 3.27Å; E413-A417 PolarHBondContact O-N 3.02Å |
| 418 | L | 42.6 | Very low | 53.6 | Low | 132 Ų | 132 | 126.9 Ų | 126.9 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -129.6 | 127.8 | 171.4 | -76 | 170.4 | 0 | 0 | 0 | 111.5 | I416 M420 | I416-L418 PolarHBondContact O-N 3.47Å; L418-M420 PolarHBondContact O-N 3.04Å |
| 419 | P | 46.3 | Very low | 50.9 | Low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 69% | 0.692 | S | S | * | * | trans | -61.5 | 122.6 | 160.9 | -14.7 | 28.5 | 0 | 0 | 0 | 109.5 | ||||
| 420 | M | 41.5 | Very low | 48.3 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 79% | 0.793 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 22.3 | 125.9 | 156.5 | -90.8 | -177.7 | 68.5 | 0 | 0 | 120.1 | L418 | L418-M420 PolarHBondContact O-N 3.04Š|
| 421 | Q | 42.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | trans | 95.6 | 108.7 | 152.5 | -56.6 | -154.4 | -18.1 | 0 | 0 | 118.6 | ||||
| 422 | N | 33 | Very low | 44.3 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | -176.7 | 135.3 | 91.2 | -90 | -37.3 | 0 | 0 | 0 | 112.1 | |||||
| 423 | F | 42.8 | Very low | 43.1 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 90% | 0.899 | 75% | 0.75 | S | S | * | * | trans | -83 | 139.3 | 171.7 | -79.4 | -95.1 | 0 | 0 | 0 | 110.6 | ||||
| 424 | S | 34.3 | Very low | 41.6 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -165.7 | 97.5 | 150.5 | -73.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 425 | T | 34.8 | Very low | 41.2 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 69 | 97.9 | 104.7 | 64.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 426 | L | 41.8 | Very low | 39.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | 39 | 125.1 | 130.8 | -58.6 | 170.7 | 0 | 0 | 0 | 120.7 | ||||
| 427 | S | 33.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -151.1 | 121 | 132.7 | -21.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 428 | F | 32.1 | Very low | 38.3 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 74% | 0.737 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 141.5 | 165.7 | 172.9 | -90.8 | 0 | 0 | 0 | 115.8 | E430 | F428-E430 HydrophobicContact CE1-CB 4.21Å; F428-E430 HydrophobicContact CZ-CB 4.16Å | ||
| 429 | R | 33.3 | Very low | 38 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 178.7 | 102.1 | 136.9 | -151.2 | 164.2 | 178.4 | 155.6 | -1.3 | 109.8 | ||||
| 430 | E | 32.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | 63.4 | 102.6 | 82.7 | -164.1 | 174.4 | -148.9 | 0 | 0 | 114 | F428 | F428-E430 HydrophobicContact CE1-CB 4.21Å; F428-E430 HydrophobicContact CZ-CB 4.16Å | |||
| 431 | T | 32.6 | Very low | 37.2 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | 179.2 | 130.2 | 120.8 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 432 | N | 40 | Very low | 36.8 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -143.3 | 141.5 | 152.1 | -167.6 | 46.4 | 0 | 0 | 0 | 103.6 | ||||
| 433 | P | 46.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | -136.2 | -177.3 | 50.6 | 36.4 | -13.1 | 0 | 0 | 0 | 111.9 | |||||
| 434 | E | 33 | Very low | 37.1 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -169.7 | 169.7 | 41 | -121.8 | -154.8 | 134.4 | 0 | 0 | 109.8 | ||||
| 435 | P | 51.8 | Low | 38 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -94.3 | 157.3 | -179.1 | 37.6 | -29.5 | 0 | 0 | 0 | 112.3 | ||||
| 436 | L | 32.9 | Very low | 39 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -159.9 | 115.3 | 156.1 | -102.5 | 138.3 | 0 | 0 | 0 | 112.6 | ||||
| 437 | Q | 44.4 | Very low | 39.5 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -52.2 | 137.2 | 155.1 | -91.2 | 150.2 | -51.7 | 0 | 0 | 111.3 | ||||
| 438 | R | 33 | Very low | 40.8 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -156 | 98 | 136.8 | -147.2 | 172.5 | -88.2 | -130.7 | 0.9 | 110.7 | A440 | R438-A440 PolarHBondContact O-N 2.87Š| ||
| 439 | S | 35.7 | Very low | 42.2 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -62.9 | 112.3 | 157.5 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 440 | A | 34.8 | Very low | 43.8 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -94.2 | 96.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R438 T442 | R438-A440 PolarHBondContact O-N 2.87Å; A440-T442 PolarHBondContact O-N 3.34Å; A440-T442 VanDerWaalsContact O-N 3.17Å | ||
| 441 | E | 36.6 | Very low | 45.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -62.6 | 107.4 | 160.4 | -74.4 | 176.2 | 153 | 0 | 0 | 107.8 | H443 | E441-H443 PolarHBondContact O-N 2.83Š| ||
| 442 | T | 33.8 | Very low | 47.5 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -77.8 | 98 | 169.9 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | A440 S444 | A440-T442 PolarHBondContact O-N 3.34Å; A440-T442 VanDerWaalsContact O-N 3.17Å; T442-S444 PolarHBondContact O-N 3.4Å; T442-S444 VanDerWaalsContact O-N 3.12Å | ||
| 443 | H | 38.9 | Very low | 49.1 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | trans | -65 | 106.4 | 167 | -66 | -44.8 | 0 | 0 | 0 | 109.8 | E441 K445 | E441-H443 PolarHBondContact O-N 2.83Å; H443-K445 PolarHBondContact O-N 2.84Å; H443-K445 VanDerWaalsContact O-N 3.12Å | ||
| 444 | S | 42.6 | Very low | 50.3 | Low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -66.9 | 104.7 | 171.2 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | T442 K446 | T442-S444 PolarHBondContact O-N 3.4Å; T442-S444 VanDerWaalsContact O-N 3.12Å; S444-K446 PolarHBondContact O-N 2.91Å | ||
| 445 | K | 53.8 | Low | 52.4 | Low | 204 Ų | 204 | 128.7 Ų | 128.7 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | trans | -65.7 | 111.9 | 169.5 | -66.1 | -177.5 | 179.6 | -176 | 0 | 108.7 | H443 | H443-K445 PolarHBondContact O-N 2.84Å; H443-K445 VanDerWaalsContact O-N 3.12Å | ||
| 446 | K | 55.9 | Low | 52.8 | Low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -84.7 | 111.6 | 172.5 | -74.5 | -179.4 | 179.1 | 174.4 | 0 | 108.9 | S444 | S444-K446 PolarHBondContact O-N 2.91Š| ||
| 447 | T | 52.5 | Low | 54.5 | Low | 101 Ų | 101 | 133.1 Ų | 133.1 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | trans | -81.3 | 118.5 | 166.5 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 448 | V | 61.3 | Low | 55.8 | Low | 87 Ų | 87 | 128 Ų | 128 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 123.8 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | I450 | V448-I450 HydrophobicContact CG1-CG1 4.03Å |
| 449 | L | 59.8 | Low | 57.3 | Low | 93 Ų | 93 | 124.4 Ų | 124.4 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.1 | 179.1 | -143.2 | 120.5 | 0 | 0 | 0 | 107.6 | K451 T465 H467 | L449-K451 HydrophobicContact CD2-CG 4.36Å; L449-T465 HydrophobicContact CD2-CG2 3.51Å; L449-T465 HydrophobicContact CG-CG2 4.12Å; L449-H467 VanDerWaalsContact CD1-CE1 3.45Å; L449-H467 WeakPolarHBondContact CD1-CE1 3.04Å; L449-H467 WeakPolarHBondContact CD1-NE2 3.28Å |
| 450 | I | 67.3 | Low | 59.2 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 47% | 0.467 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 114.1 | 179 | -55.7 | 177.8 | 0 | 0 | 0 | 107.4 | V448 Q466 | V448-I450 HydrophobicContact CG1-CG1 4.03Å; I450-Q466 PolarHBondContact O-N 2.97Å |
| 451 | K | 68.9 | Low | 61.1 | Low | 115 Ų | 115 | 124.3 Ų | 124.3 | 50% | 0.5 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 121 | 170.2 | -80.6 | -168.2 | 169.7 | -157 | 0 | 108.8 | L449 E463 T465 | L449-K451 HydrophobicContact CD2-CG 4.36Å; K451-E463 WeakPolarHBondContact CD-OE1 3.23Å; K451-E463 VanDerWaalsContact CE-OE1 3.31Å; K451-E463 WeakPolarHBondContact CE-OE1 3.17Å; K451-E463 IonicContact NZ-OE1 2.72Å; K451-E463 PolarHBondContact NZ-OE1 2.71Å; K451-T465 HydrophobicContact CG-CG2 4.14Å |
| 452 | T | 73.3 | Confident | 62.8 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 58% | 0.577 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.3 | 172.9 | -46.2 | 0 | 0 | 0 | 0 | 107.6 | S464 | T452-S464 PolarHBondContact N-O 2.88Å; T452-S464 VanDerWaalsContact N-O 3.16Å; T452-S464 PolarHBondContact O-N 3.25Å |
| 453 | I | 74.4 | Confident | 65 | Low | 92 Ų | 92 | 118.7 Ų | 118.7 | 47% | 0.472 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.9 | -178.2 | -54.9 | 178.1 | 0 | 0 | 0 | 107.2 | T455 V460 | I453-T455 HydrophobicContact CG2-CG2 4.14Å; I453-V460 HydrophobicContact CG2-CB 4.28Å; I453-V460 HydrophobicContact CG2-CG1 3.58Å; I453-V460 HydrophobicContact CG2-CG2 3.77Å |
| 454 | E | 70.6 | Confident | 66.5 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.2 | 175.8 | -163.5 | 178.3 | -166.7 | 0 | 0 | 108.9 | V461 S462 | E454-V461 PolarHBondContact O-N 3.4Å; E454-S462 WeakPolarHBondContact CB-OG 3.26Å; E454-S462 PolarHBondContact N-O 3.5Å; E454-S462 VanDerWaalsContact N-O 3.08Å; E454-S462 PolarHBondContact O-N 3Å; E454-S462 PolarHBondContact OE2-OG 2.82Å |
| 455 | T | 77.3 | Confident | 67.9 | Low | 91 Ų | 91 | 112.8 Ų | 112.8 | 56% | 0.558 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.2 | 178.8 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | I453 E459 V460 | I453-T455 HydrophobicContact CG2-CG2 4.14Å; T455-E459 WeakPolarHBondContact CA-O 3.22Å; T455-V460 HydrophobicContact CG2-CG2 3.87Å |
| 456 | R | 61.6 | Low | 68.5 | Low | 191 Ų | 191 | 109.8 Ų | 109.8 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 129 | 170.1 | -166.6 | 176.7 | -179.5 | 167.4 | 2.1 | 108.1 | G458 E459 V461 | R456-G458 PolarHBondContact O-N 2.9Å; R456-E459 PolarHBondContact N-O 2.9Å; R456-E459 VanDerWaalsContact N-O 3.16Å; R456-E459 PolarHBondContact O-N 3.44Å; R456-V461 HydrophobicContact CB-CG2 3.94Å |
| 457 | D | 67.2 | Low | 69 | Low | 158 Ų | 158 | 106.6 Ų | 106.6 | 85% | 0.845 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55 | 33.1 | -178.5 | -53.9 | -37.8 | 0 | 0 | 0 | 114.4 | E459 | D457-E459 VanDerWaalsContact C-N 3.3Å; D457-E459 PolarHBondContact O-N 2.8Å |
| 458 | G | 72.9 | Confident | 69.3 | Low | 75 Ų | 75 | 107.3 Ų | 107.3 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.6 | -3.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R456 | R456-G458 PolarHBondContact O-N 2.9Š|
| 459 | E | 63.4 | Low | 69 | Low | 154 Ų | 154 | 110.2 Ų | 110.2 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 143.6 | 171.9 | -67.1 | -168.1 | 165.2 | 0 | 0 | 111.4 | T455 R456 D457 V461 | T455-E459 WeakPolarHBondContact CA-O 3.22Å; R456-E459 PolarHBondContact N-O 2.9Å; R456-E459 VanDerWaalsContact N-O 3.16Å; R456-E459 PolarHBondContact O-N 3.44Å; D457-E459 VanDerWaalsContact C-N 3.3Å; D457-E459 PolarHBondContact O-N 2.8Å; E459-V461 PolarHBondContact O-N 3.47Å |
| 460 | V | 77.1 | Confident | 68.6 | Low | 90 Ų | 90 | 112.5 Ų | 112.5 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 112 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | I453 T455 | I453-V460 HydrophobicContact CG2-CB 4.28Å; I453-V460 HydrophobicContact CG2-CG1 3.58Å; I453-V460 HydrophobicContact CG2-CG2 3.77Å; T455-V460 HydrophobicContact CG2-CG2 3.87Å |
| 461 | V | 74.7 | Confident | 67.7 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 62% | 0.624 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.9 | -27.8 | -175 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | E454 R456 E459 | E454-V461 PolarHBondContact O-N 3.4Å; R456-V461 HydrophobicContact CB-CG2 3.94Å; E459-V461 PolarHBondContact O-N 3.47Å |
| 462 | S | 72.1 | Confident | 66.7 | Low | 54 Ų | 54 | 122 Ų | 122 | 38% | 0.378 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.7 | 140.6 | 171.9 | 79.8 | 0 | 0 | 0 | 0 | 112.6 | E454 | E454-S462 WeakPolarHBondContact CB-OG 3.26Å; E454-S462 PolarHBondContact N-O 3.5Å; E454-S462 VanDerWaalsContact N-O 3.08Å; E454-S462 PolarHBondContact O-N 3Å; E454-S462 PolarHBondContact OE2-OG 2.82Å |
| 463 | E | 79.4 | Confident | 66.4 | Low | 111 Ų | 111 | 123.4 Ų | 123.4 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.9 | 173 | -175.3 | 179.8 | -174.9 | 0 | 0 | 109.1 | K451 | K451-E463 WeakPolarHBondContact CD-OE1 3.23Å; K451-E463 VanDerWaalsContact CE-OE1 3.31Å; K451-E463 WeakPolarHBondContact CE-OE1 3.17Å; K451-E463 IonicContact NZ-OE1 2.72Å; K451-E463 PolarHBondContact NZ-OE1 2.71Å |
| 464 | S | 69.4 | Low | 65.9 | Low | 80 Ų | 80 | 125.1 Ų | 125.1 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.6 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | T452 | T452-S464 PolarHBondContact N-O 2.88Å; T452-S464 VanDerWaalsContact N-O 3.16Å; T452-S464 PolarHBondContact O-N 3.25Å |
| 465 | T | 73.4 | Confident | 65.7 | Low | 63 Ų | 63 | 124.8 Ų | 124.8 | 39% | 0.387 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.2 | -179.5 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | L449 K451 | L449-T465 HydrophobicContact CD2-CG2 3.51Å; L449-T465 HydrophobicContact CG-CG2 4.12Å; K451-T465 HydrophobicContact CG-CG2 4.14Å |
| 466 | Q | 65.8 | Low | 65 | Low | 141 Ų | 141 | 126.8 Ų | 126.8 | 66% | 0.659 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.5 | 178.8 | -166.1 | 169.7 | 0.8 | 0 | 0 | 110.5 | I450 | I450-Q466 PolarHBondContact O-N 2.97Å |
| 467 | H | 67.4 | Low | 65.2 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 58% | 0.583 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 115 | 173.4 | -86.8 | 66.8 | 0 | 0 | 0 | 109.4 | L449 | L449-H467 VanDerWaalsContact CD1-CE1 3.45Å; L449-H467 WeakPolarHBondContact CD1-CE1 3.04Å; L449-H467 WeakPolarHBondContact CD1-NE2 3.28Å |
| 468 | Q | 57.4 | Low | 65.1 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.2 | 166.3 | -164.5 | 112 | 42.3 | 0 | 0 | 108 | ||
| 469 | Q | 55.1 | Low | 64.5 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | trans | -89.5 | 102.9 | 165.7 | -76.7 | -177.7 | -0.8 | 0 | 0 | 107.5 | I471 | Q469-I471 PolarHBondContact O-N 2.92Å; Q469-I471 VanDerWaalsContact O-N 3.17Å | ||
| 470 | D | 52.2 | Low | 64.6 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | trans | -71 | 109.2 | 165.3 | -81.3 | -19.1 | 0 | 0 | 0 | 108.2 | ||||
| 471 | I | 47.8 | Very low | 63.6 | Low | 152 Ų | 152 | 124 Ų | 124 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | trans | -84.1 | 108 | 165.3 | -58.3 | 173.2 | 0 | 0 | 0 | 105.2 | Q469 | Q469-I471 PolarHBondContact O-N 2.92Å; Q469-I471 VanDerWaalsContact O-N 3.17Å | ||
| 472 | M | 48.1 | Very low | 62.6 | Low | 253 Ų | 253 | 125.9 Ų | 125.9 | 100% | 1.246 | 65% | 0.645 | S | S | * | * | trans | -78.6 | 0 | 156 | -80.5 | -163.3 | -161.3 | 0 | 0 | 109.5 |
Retrieved 472 of 472 residues in 149.5 ms
(Link to these results)